data_6ob1_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 6ob1 _Structure_validation_residue.Date_analyzed 2019-08-09 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 ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 110.76 -0.936 . . . . 70.54 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 148.15 48.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.008 0.433 . . . . 74.4 110.112 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.61 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 16.6 mp0 -91.62 161.21 15.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 74.23 110.095 -174.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -138.98 146.61 25.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-O 121.473 0.654 . . . . 73.4 109.323 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 16.0 m-30 -100.95 116.79 33.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.659 -1.237 . . . . 74.32 107.659 172.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.652 ' HB ' HD11 ' B' ' 169' ' ' LEU . 17.3 m -107.14 102.49 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 122.106 0.955 . . . . 72.22 109.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.416 ' HB2' HG21 ' B' ' 168' ' ' ILE . 2.4 m-20 -78.12 102.34 7.46 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.377 -1.283 . . . . 74.44 110.033 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 t -89.14 110.41 21.15 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.726 -0.842 . . . . 71.13 108.726 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.7 43.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 115.199 -0.91 . . . . 72.52 109.826 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -118.84 84.15 2.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.418 -0.956 . . . . 63.34 108.418 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.418 ' HB2' HD13 ' C' ' 765' ' ' LEU . 32.0 t-105 -99.0 103.29 15.23 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 106.383 -1.71 . . . . 64.43 106.383 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' B' ' 171' ' ' LEU . 26.5 pttm -160.54 155.4 24.2 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.248 0.342 . . . . 74.45 111.435 -173.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 5.5 m -99.4 137.4 37.95 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.803 -0.635 . . . . 74.2 110.242 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.22 158.19 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 107.644 -1.243 . . . . 74.24 107.644 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.0 m -125.55 132.39 52.58 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.658 0.663 . . . . 75.22 109.944 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD22 HG11 ' B' ' 105' ' ' VAL . 1.4 pt? -136.93 170.93 15.28 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.004 1.322 . . . . 74.04 108.341 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 32.5 tt0 -113.4 159.53 19.36 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.358 -0.608 . . . . 74.23 109.358 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG13 ' HE2' ' B' ' 101' ' ' MET . 7.1 p -157.39 163.42 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.431 0.692 . . . . 73.14 110.798 175.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -108.87 153.8 42.2 Favored Pre-proline 0 N--CA 1.484 1.251 0 C-N-CA 123.659 0.784 . . . . 75.42 109.783 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.39 -30.57 36.33 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.038 2.492 . . . . 51.25 113.182 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -84.84 -10.17 57.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.071 0.948 . . . . 63.22 111.812 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.87 153.93 41.57 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.336 -0.616 . . . . 74.13 109.336 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.28 163.81 20.47 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.222 0.609 . . . . 72.32 110.411 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 50' ' ' LEU . 40.6 mm -67.18 -32.97 60.04 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-N 115.015 -0.993 . . . . 74.22 110.699 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -32.79 63.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.769 -1.105 . . . . 74.31 110.327 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -69.52 -39.0 77.79 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.003 0.921 . . . . 75.22 110.783 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 47.4 t -65.39 -51.16 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.48 0.712 . . . . 70.21 109.881 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 38' ' ' PRO . 45.8 pttt -67.49 -33.7 75.63 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.535 -0.757 . . . . 72.21 110.441 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.09 78.09 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.012 0.525 . . . . 62.15 111.931 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 18.9 ptmt -79.99 -32.83 39.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.506 0.322 . . . . 73.33 110.958 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 36' ' ' ILE . 26.4 pt -72.38 -33.1 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.899 -0.408 . . . . 74.31 109.899 172.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.17 -42.76 99.44 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.979 0.512 . . . . 75.2 111.338 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.95 -50.86 53.41 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.79 0.836 . . . . 73.24 110.9 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -78.58 -62.19 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.115 -0.948 . . . . 74.53 111.039 -175.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.14 -13.73 32.45 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.244 0.461 . . . . 71.32 112.244 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.89 31.76 52.22 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 112.119 -0.392 . . . . 73.32 112.119 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.543 HD12 ' HB ' ' A' ' 30' ' ' ILE . 96.5 mt -84.42 108.23 13.85 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.143 0.977 . . . . 75.13 109.509 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 73.9 Cg_endo -74.21 115.09 4.2 Favored 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 121.876 1.717 . . . . 75.54 110.537 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 25.4 Cg_endo -60.17 -44.01 31.75 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.691 2.927 . . . . 72.33 115.209 -165.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -85.84 -27.6 24.99 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.85 -0.614 . . . . 71.44 111.154 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -75.38 -28.66 59.59 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.21 1.004 . . . . 62.33 110.878 174.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -125.78 93.66 3.9 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.115 -1.069 . . . . 74.44 108.115 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -76.39 128.84 35.64 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.366 1.466 . . . . 74.23 111.059 -171.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' A' ' 67' ' ' LEU . 12.6 mt -97.01 139.47 32.97 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.883 0.873 . . . . 74.11 110.531 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 HG21 ' HH ' ' C' ' 757' ' ' TYR . 75.1 mt -132.66 118.96 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 109.236 -0.653 . . . . 74.15 109.236 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.5 t80 -108.11 118.59 37.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 73.52 108.855 -171.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.81 17.1 4.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.04 0.936 . . . . 65.42 112.694 174.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.497 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.65 26.1 14.01 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 114.27 0.468 . . . . 61.51 114.27 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -141.04 137.61 33.06 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 117.23 0.515 . . . . 72.12 111.286 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HG2' HG12 ' A' ' 44' ' ' ILE . 76.6 mt-30 -75.1 139.8 43.02 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.878 0.871 . . . . 74.42 110.129 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.809 ' HB3' HG23 ' A' ' 23' ' ' ILE . 1.7 mm? -92.75 123.96 36.4 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.991 0.916 . . . . 71.03 111.514 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.65 128.39 38.49 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.079 0.952 . . . . 75.23 110.21 169.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.06 -41.7 60.08 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.565 1.546 . . . . 74.34 113.018 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.66 -12.14 66.73 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 114.518 -1.219 . . . . 75.34 114.532 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.4 163.57 14.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 75.3 109.65 -175.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.2 p -95.78 173.93 7.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.75 0.42 . . . . 72.35 110.278 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.43 -42.92 91.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.292 -0.633 . . . . 73.24 109.292 173.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.4 t -65.53 -25.77 67.59 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 64.4 111.905 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.52 -38.55 69.37 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.829 0.852 . . . . 71.21 111.145 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 3.5 m-85 -99.05 -6.12 29.08 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.661 0.784 . . . . 74.23 109.692 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.65 63.48 1.67 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.729 1.212 . . . . 75.12 110.654 -172.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.8 mp -67.75 99.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 108.636 -0.875 . . . . 72.44 108.636 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.0 -172.89 3.3 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.276 -0.875 . . . . 71.45 109.132 170.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.7 ttpp -93.38 150.56 20.37 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.8 -0.563 . . . . 73.55 110.968 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 61.94 21.19 12.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.885 1.674 . . . . 74.42 111.855 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -71.38 151.34 44.18 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.19 0.596 . . . . 74.23 111.417 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.482 ' HB3' ' HE2' ' C' ' 779' ' ' MET . . . -111.38 132.06 54.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.412 0.625 . . . . 72.44 111.533 -175.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 43' ' ' LEU . 59.2 tp -113.3 135.93 53.31 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.583 1.553 . . . . 75.2 107.706 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.5 tp -98.39 137.46 25.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 109.123 -0.695 . . . . 74.43 109.123 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.696 HD23 HG23 ' B' ' 107' ' ' THR . 11.2 mp -107.48 111.0 23.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.378 -0.828 . . . . 72.42 109.11 174.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 mt -101.61 125.85 48.33 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.237 -1.023 . . . . 71.5 108.237 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HG ' HG12 ' B' ' 108' ' ' VAL . 48.7 mt -70.9 169.3 15.06 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 119.008 0.822 . . . . 71.15 111.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -38.42 110.33 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.206 1.402 . . . . 75.12 113.063 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' C' ' 760' ' ' ALA . 31.4 tp -103.07 -65.04 1.02 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.018 0.927 . . . . 74.33 109.211 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.256 1.42 0 CA-C-N 114.515 -1.221 . . . . 75.31 107.97 -172.433 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 CA-C-O 120.261 -0.188 . . . . 62.3 113.072 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.53 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -102.71 145.48 29.63 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.906 0.482 . . . . 75.51 109.777 -175.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 12.5 mp0 -104.81 128.64 53.04 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.049 -0.723 . . . . 75.42 109.049 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.1 pt -119.22 167.35 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.08 0.552 . . . . 73.54 110.935 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.0 m-85 -116.06 125.56 52.59 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.124 0.97 . . . . 74.44 108.59 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 15' ' ' LEU . 27.3 m -111.64 115.18 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.584 0.629 . . . . 73.33 109.46 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.555 ' HB3' HD12 ' A' ' 68' ' ' ILE . 8.5 t70 -90.3 103.67 16.32 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.214 -0.662 . . . . 61.11 109.214 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.696 HG23 HD23 ' A' ' 69' ' ' LEU . 61.1 p -92.62 135.97 33.63 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 125.138 1.375 . . . . 75.13 112.639 -171.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.43 HG12 ' HG ' ' A' ' 71' ' ' LEU . 2.4 p -112.34 124.56 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.352 1.061 . . . . 53.54 109.238 163.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -138.3 101.5 4.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.973 0.909 . . . . 75.33 109.0 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -106.91 134.64 49.75 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.852 0.861 . . . . 74.0 109.057 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -144.26 138.8 28.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.223 1.009 . . . . 75.35 109.392 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -101.77 118.98 38.04 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.542 0.737 . . . . 73.31 109.238 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 20.3 mt -94.43 158.57 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 108.606 -0.887 . . . . 73.01 108.606 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.7 m -131.28 122.27 26.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.16 -0.682 . . . . 71.01 109.16 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.97 170.33 14.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.42 -0.955 . . . . 70.35 108.42 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 40.1 tt0 -117.92 144.73 45.22 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.738 -0.838 . . . . 75.15 108.738 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.2 167.1 20.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 123.361 0.665 . . . . 74.54 109.333 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -106.63 150.8 40.07 Favored Pre-proline 0 N--CA 1.47 0.569 0 N-CA-C 109.308 -0.627 . . . . 71.24 109.308 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -66.13 -28.4 48.68 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.467 2.111 . . . . 73.23 111.462 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.9 m -80.96 -15.29 56.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.184 -0.916 . . . . 75.35 112.073 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.0 159.73 27.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.931 0.396 . . . . 75.12 110.881 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -85.21 163.15 18.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.386 -0.824 . . . . 73.24 110.527 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 45.8 mm -68.43 -28.56 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.397 -0.82 . . . . 71.01 110.587 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.42 66.01 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.134 0.574 . . . . 71.32 111.696 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.438 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.4 t-20 -64.6 -54.75 27.03 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.651 0.781 . . . . 54.01 109.377 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.01 -40.33 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.737 0.815 . . . . 73.4 110.59 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' B' ' 138' ' ' PRO . 20.4 ttmt -54.53 -55.09 32.81 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.686 -1.143 . . . . 73.54 110.495 174.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.21 71.09 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.357 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 29.1 mmtp -65.59 -57.87 7.12 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.981 -0.533 . . . . 75.21 110.904 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.474 ' HB ' HD13 ' B' ' 136' ' ' ILE . 26.6 pt -60.37 -35.35 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 CA-C-O 121.268 0.556 . . . . 72.34 111.132 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 8.8 tt0 -72.3 -28.51 63.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.696 1.199 . . . . 72.13 111.559 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.79 -48.94 12.75 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.804 0.442 . . . . 64.42 110.322 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 75.1 mmtt -60.29 -61.51 2.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.159 -0.928 . . . . 72.41 111.514 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.461 ' HB2' HG13 ' B' ' 136' ' ' ILE . 29.7 mt-10 -117.45 6.88 12.63 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.079 0.399 . . . . 75.3 112.079 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 67.55 25.97 73.77 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-O 119.467 -0.629 . . . . 44.31 112.523 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' B' ' 130' ' ' ILE . 55.5 mt -68.29 106.34 1.31 Allowed Pre-proline 0 C--N 1.361 1.069 0 N-CA-C 108.843 -0.799 . . . . 71.3 108.843 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 136' ' ' ILE . 1.1 Cg_endo -82.19 121.81 3.59 Favored 'Trans proline' 0 C--N 1.368 1.572 0 C-N-CA 122.418 2.079 . . . . 70.14 110.146 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.411 ' HB3' ' HG3' ' B' ' 127' ' ' LYS . 34.5 Cg_endo -59.22 -39.37 79.12 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.809 2.339 . . . . 73.34 112.448 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.85 -29.49 69.41 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.453 -1.249 . . . . 74.44 111.415 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -20.56 19.13 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.671 0.789 . . . . 72.2 110.81 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -153.21 97.57 2.18 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.934 -0.765 . . . . 75.23 108.934 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.36 144.17 28.2 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.14 0.576 . . . . 74.3 110.278 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.519 ' HG ' ' HG ' ' B' ' 169' ' ' LEU . 3.2 mp -83.48 146.58 28.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.777 0.431 . . . . 74.25 110.262 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -125.02 144.31 50.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.883 0.873 . . . . 74.34 109.599 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.52 ' HB2' HD21 ' B' ' 150' ' ' LEU . 11.3 t80 -141.46 104.51 4.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.663 1.185 . . . . 72.33 108.561 -176.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 55.81 27.63 11.17 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.365 1.066 . . . . 72.11 112.052 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.38 17.66 45.22 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 116.422 -0.354 . . . . 64.41 113.484 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -133.27 133.68 42.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.215 0.606 . . . . 73.32 110.832 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.85 135.18 38.87 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.413 0.685 . . . . 71.35 109.388 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' B' ' 123' ' ' ILE . 2.2 mm? -81.02 105.57 12.34 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.423 -0.954 . . . . 75.22 108.423 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.657 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 32.9 mt-10 -75.68 128.06 34.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.835 -1.172 . . . . 74.15 107.835 174.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.8 p-10 -65.29 -25.34 67.59 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.817 0.673 . . . . 75.2 112.817 -169.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -73.62 -10.58 79.86 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.35 -0.841 . . . . 62.1 113.933 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.657 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 21.8 mmm180 -85.74 177.81 7.55 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.366 0.583 . . . . 75.2 109.94 -177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 158' ' ' ASP . 26.1 m -110.97 158.1 19.16 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.728 0.811 . . . . 73.21 109.375 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.413 HD22 HD11 ' B' ' 123' ' ' ILE . 4.0 mm? -63.3 -46.47 86.57 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.959 0.409 . . . . 74.22 110.186 176.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.5 t -64.24 -27.61 69.17 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.083 -0.508 . . . . 75.55 111.822 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' B' ' 155' ' ' THR . 15.6 t70 -58.58 -31.86 68.42 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.602 0.761 . . . . 72.41 111.36 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.79 -6.92 35.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.131 0.572 . . . . 75.21 111.396 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.68 57.06 5.02 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.046 0.939 . . . . 75.43 109.353 -174.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 6.2 mm -70.41 126.6 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.576 -1.193 . . . . 74.41 110.083 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -94.81 158.27 15.57 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 121.32 0.581 . . . . 75.24 110.519 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.48 136.29 56.91 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 116.019 -0.537 . . . . 75.2 109.625 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 67.88 19.85 9.41 Favored 'General case' 0 CA--C 1.553 1.088 0 O-C-N 124.884 1.365 . . . . 72.15 111.572 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 13.7 t -60.69 129.02 39.45 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 123.179 0.592 . . . . 64.55 111.79 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.95 41.73 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.106 0.563 . . . . 62.1 111.497 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.405 HD12 ' N ' ' B' ' 167' ' ' LEU . 1.0 OUTLIER -132.32 128.77 38.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.534 1.134 . . . . 74.13 108.159 -179.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.416 HG21 ' HB2' ' A' ' 6' ' ' ASP . 29.5 pt -101.39 119.04 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-O 121.517 0.675 . . . . 64.32 110.326 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.652 HD11 ' HB ' ' A' ' 5' ' ' VAL . 5.7 mp -77.07 112.6 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.967 0.507 . . . . 75.3 110.221 176.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.3 156.97 16.1 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.56 -0.904 . . . . 73.32 108.56 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 11' ' ' LYS . 6.8 mp -67.53 163.33 21.35 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.759 -0.46 . . . . 73.12 109.759 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.562 1.438 0 N-CA-C 113.849 1.055 . . . . 73.11 113.849 -172.8 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.61 0.596 . . . . 72.43 112.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.32 -60.0 4.01 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.033 0.833 . . . . 75.14 110.693 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 11.5 pt20 -55.39 -45.3 76.61 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 124.346 1.029 . . . . 74.51 110.162 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 43.3 mtpt -61.47 -56.23 22.39 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 124.264 0.977 . . . . 74.45 111.049 -172.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.11 -45.63 68.37 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.411 1.069 . . . . 74.01 110.857 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.91 -30.77 68.27 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.092 0.87 . . . . 64.23 111.626 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' C' ' 786' ' ' ALA . 72.8 mt-10 -69.59 -46.73 65.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.957 0.903 . . . . 74.34 109.046 177.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 17.0 mt -69.83 -33.39 72.24 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.033 0.833 . . . . 63.25 110.38 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.43 -37.34 74.38 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.472 -0.936 . . . . 74.2 108.472 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.73 -44.37 97.04 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.806 0.691 . . . . 73.53 110.351 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.597 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 20.9 m-85 -61.35 -37.56 83.77 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 74.53 110.628 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.502 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 36.7 t-105 -75.42 -25.83 57.85 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 114.743 -1.117 . . . . 74.04 110.563 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 90.8 m -68.03 -36.32 79.73 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.073 -0.714 . . . . 55.23 109.073 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.597 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 47.1 m-85 -62.13 -66.33 0.55 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 123.582 0.552 . . . . 73.44 109.781 171.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.466 HD13 HD11 ' C' ' 777' ' ' LEU . 37.8 mt -66.18 -33.67 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 O-C-N 124.173 0.921 . . . . 71.4 112.147 -166.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.01 -58.65 5.04 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.244 -0.65 . . . . 74.13 109.244 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -64.37 -27.81 69.27 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.672 0.789 . . . . 74.4 112.049 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.63 ' HE1' HD22 ' C' ' 768' ' ' LEU . 26.1 ttt -66.8 -58.85 4.23 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 114.37 -1.286 . . . . 72.34 108.207 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.607 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 3.5 mm? -71.41 -14.72 62.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 113.551 0.945 . . . . 64.43 113.551 -178.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 69.2 m -61.51 -25.75 67.47 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.509 0.723 . . . . 71.24 111.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -130.05 -46.67 1.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.56 0.744 . . . . 71.44 109.798 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.555 HD21 HD21 ' C' ' 768' ' ' LEU . 8.4 tp -87.63 57.77 4.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.58 1.552 . . . . 75.3 108.454 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.82 59.08 3.02 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.329 1.051 . . . . 74.03 113.469 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 16.0 m 173.9 105.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.937 1.695 . . . . 74.11 108.665 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.63 HD22 ' HE1' ' C' ' 761' ' ' MET . 1.7 pp -163.86 143.94 8.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.854 0.462 . . . . 71.14 111.252 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.4 m -65.47 152.69 43.36 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 123.115 0.566 . . . . 75.43 110.472 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.75 -39.25 65.18 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.863 0.727 . . . . 75.41 109.126 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.31 -30.66 68.51 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.628 0.771 . . . . 73.14 112.833 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -69.63 -57.31 5.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.578 0.351 . . . . 74.14 110.335 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.473 HG21 ' SD ' ' C' ' 761' ' ' MET . 2.7 pp -67.86 -24.15 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.779 -0.646 . . . . 70.13 111.053 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.495 ' HH ' HD22 ' C' ' 792' ' ' LEU . 21.5 t80 -66.21 -49.13 68.34 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.986 -0.746 . . . . 73.52 108.986 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.81 -40.5 92.94 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.156 0.91 . . . . 72.11 110.919 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.538 ' HE3' ' SD ' ' C' ' 761' ' ' MET . 0.2 OUTLIER -66.52 -52.7 43.04 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.727 0.642 . . . . 74.42 111.452 178.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.589 ' HB2' HD11 ' C' ' 795' ' ' LEU . 8.4 mt -57.84 -40.12 79.31 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 123.019 0.199 . . . . 72.51 110.495 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.418 ' O ' HG11 ' C' ' 781' ' ' VAL . 38.5 ttt-85 -69.96 -36.68 75.42 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.95 0.781 . . . . 74.34 111.093 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 779' ' ' MET . . . . . 0.482 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 4.3 tpt -55.5 -55.85 27.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.338 0.655 . . . . 73.34 109.583 170.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -78.06 -9.29 59.07 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.889 -0.596 . . . . 70.41 112.487 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.488 HG12 HG12 ' C' ' 790' ' ' ILE . 0.5 OUTLIER -87.57 -36.25 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 110.196 -0.298 . . . . 74.33 110.196 173.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.71 -31.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 119.688 -0.196 . . . . 73.53 111.373 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 15.0 p -63.41 -29.1 70.45 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.898 0.38 . . . . 74.22 111.829 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -120.76 -172.85 14.69 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.5 -0.773 . . . . 74.34 111.831 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -85.04 15.05 2.3 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.194 2.596 . . . . 74.21 113.275 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' C' ' 781' ' ' VAL . . . -49.96 106.08 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.47 1.108 . . . . 71.44 112.219 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . 0.414 HD23 HG21 ' C' ' 790' ' ' ILE . 5.7 mp 55.3 13.64 0.92 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.356 1.462 . . . . 64.44 113.831 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.47 36.98 28.23 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.642 0.777 . . . . 73.52 111.11 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 75.46 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.551 1.94 . . . . 74.13 111.481 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.488 HG12 HG12 ' C' ' 781' ' ' VAL . 6.0 pt -71.51 -171.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.062 1.345 . . . . 74.15 111.884 175.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -139.33 172.07 13.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.346 1.058 . . . . 74.32 109.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . 0.495 HD22 ' HH ' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -48.43 -61.12 2.17 Favored 'General case' 0 C--O 1.206 -1.213 0 C-N-CA 125.037 1.335 . . . . 70.43 110.464 173.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -32.91 64.48 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.934 0.771 . . . . 73.4 111.474 -173.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.87 -52.27 26.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.627 0.771 . . . . 64.44 110.492 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' C' ' 777' ' ' LEU . 1.6 tt -74.21 -52.06 13.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 122.919 0.488 . . . . 63.34 110.168 -174.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -52.67 -47.05 67.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.855 0.862 . . . . 72.14 111.371 170.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.64 -27.68 71.36 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.775 0.672 . . . . 62.22 113.737 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.502 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 24.8 t80 -66.75 -50.99 60.95 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.595 0.758 . . . . 64.31 109.256 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.6 -44.67 93.31 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.986 0.804 . . . . 64.01 110.939 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.24 -49.06 75.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.533 1.133 . . . . 73.51 110.261 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . 0.45 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.79 -57.55 11.56 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.247 0.967 . . . . 74.12 108.815 175.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -47.56 -43.52 25.3 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.461 0.912 . . . . 74.12 113.461 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.6 -43.98 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 121.433 0.635 . . . . 72.3 110.467 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.5 -13.09 60.64 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.312 -0.858 . . . . 75.24 112.157 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.54 -9.09 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.192 0.997 . . . . 71.24 110.42 171.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.74 19.24 10.75 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.109 1.364 . . . . 72.23 111.455 -175.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -5.45 56.94 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.828 1.251 . . . . 74.1 111.01 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.53 142.98 50.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.759 0.824 . . . . 75.41 108.812 169.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.4 t -105.64 123.51 60.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 C-N-CA 124.356 1.062 . . . . 75.55 108.201 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.5 107.78 19.57 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.348 -1.353 . . . . 65.22 107.348 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.6 ' HB3' HG11 ' C' ' 814' ' ' VAL . 22.8 t -80.7 -154.67 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 108.754 -0.832 . . . . 75.25 108.754 171.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.22 76.11 0.71 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.075 0.852 . . . . 74.13 111.56 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.84 77.8 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.678 -0.692 . . . . 71.34 112.537 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.6 HG11 ' HB3' ' C' ' 811' ' ' SER . 7.7 p -144.65 135.02 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.899 -0.778 . . . . 75.24 108.899 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.82 148.73 22.01 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.4 0.68 . . . . 74.3 112.703 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.468 ' HA ' ' CD1' ' C' ' 762' ' ' LEU . 15.6 ptt180 -161.76 150.22 15.36 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.266 -1.334 . . . . 73.42 109.696 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.607 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 0.7 OUTLIER -74.65 141.92 76.65 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 111.677 0.251 . . . . 75.45 111.677 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo . . . . . 0 C--N 1.378 2.114 0 C-N-CA 122.828 2.352 . . . . 75.14 110.478 166.047 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.87 -0.492 . . . . 62.31 111.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -100.36 147.13 26.15 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.873 -0.788 . . . . 64.45 108.873 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 17.3 mp0 -92.76 160.31 15.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.997 -0.547 . . . . 74.23 110.351 -171.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.499 HD12 HD11 ' B' ' 115' ' ' LEU . 13.9 pt -139.99 158.47 26.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 123.983 0.913 . . . . 64.41 108.682 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -119.53 112.68 19.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.577 -1.268 . . . . 72.51 107.577 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.69 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 98.5 t -93.93 91.81 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.476 -1.305 . . . . 62.1 107.476 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.11 95.93 8.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.276 -0.875 . . . . 75.01 110.508 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -91.65 139.42 30.71 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.697 0.399 . . . . 73.51 110.036 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HB ' ' HE3' ' B' ' 110' ' ' TRP . 7.7 p -129.72 118.65 45.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.91 -0.774 . . . . 74.23 108.91 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 89.7 mt-30 -103.23 81.99 2.01 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.319 -0.993 . . . . 73.34 108.319 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.592 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 70.3 t-105 -98.56 106.1 18.33 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 107.698 -1.223 . . . . 73.3 107.698 173.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -161.38 139.82 9.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 123.79 0.681 . . . . 72.24 109.711 -171.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 21.1 m -85.3 122.76 29.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.561 0.745 . . . . 74.24 109.678 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.69 151.24 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.577 -0.898 . . . . 74.42 108.577 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' CD1' ' B' ' 104' ' ' PHE . 20.7 p -107.82 134.63 50.49 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.844 0.458 . . . . 71.34 110.569 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD21 HG12 ' B' ' 105' ' ' VAL . 1.8 pt? -149.63 172.41 15.1 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.642 0.777 . . . . 74.31 109.319 173.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 30.9 tt0 -121.34 146.8 46.48 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.689 0.396 . . . . 60.15 110.122 171.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG12 HG23 ' A' ' 26' ' ' VAL . 12.1 m -130.78 173.74 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 124.575 1.15 . . . . 73.12 110.955 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.742 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 35.0 mm-40 -110.52 154.89 42.87 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.805 0.842 . . . . 62.2 109.034 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.34 -38.76 19.32 Favored 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 122.159 1.906 . . . . 64.34 112.385 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -89.3 -0.2 57.28 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.85 -0.614 . . . . 64.02 111.475 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 23.0 t70 -75.76 154.21 36.48 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.541 1.136 . . . . 73.23 107.935 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -91.26 164.68 13.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.989 0.9 . . . . 74.42 111.254 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 50' ' ' LEU . 22.6 mm -74.52 -19.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 CA-C-N 114.746 -1.115 . . . . 74.22 109.616 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.81 -25.35 67.19 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.817 0.847 . . . . 70.44 110.605 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 45.0 m-80 -69.18 -53.35 20.5 Favored 'General case' 0 C--O 1.205 -1.271 0 N-CA-C 108.532 -0.914 . . . . 72.53 108.532 173.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG23 HG12 ' A' ' 17' ' ' VAL . 20.9 t -51.12 -42.27 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.842 0.857 . . . . 73.55 110.867 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.56 -53.91 52.61 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 125.519 1.528 . . . . 73.24 110.929 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.48 63.17 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.943 -1.026 . . . . 65.5 111.7 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 4.4 mptp? -72.69 -54.51 8.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.569 1.148 . . . . 74.54 109.243 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.612 ' HB ' HD12 ' A' ' 36' ' ' ILE . 25.9 pt -68.34 -25.95 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 123.254 0.346 . . . . 74.23 110.869 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.69 -49.61 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.036 0.534 . . . . 72.41 111.087 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.23 -43.07 99.47 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.967 0.889 . . . . 75.14 110.829 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.558 ' HZ3' ' HB3' ' A' ' 33' ' ' LYS . 3.6 mmmp? -82.37 -73.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.763 -1.562 . . . . 64.41 110.926 -174.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HB2' HG13 ' A' ' 36' ' ' ILE . 26.6 mm-40 -88.13 -9.57 52.77 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.874 0.47 . . . . 73.42 111.283 -167.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 28.35 54.84 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 116.309 -0.405 . . . . 74.31 113.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.612 HD12 ' HB ' ' A' ' 30' ' ' ILE . 54.6 mt -80.58 113.51 40.28 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.519 0.728 . . . . 72.45 110.053 -176.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 28.1 Cg_endo -62.12 119.4 6.49 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.926 2.417 . . . . 75.42 112.352 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 -44.97 44.48 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 124.085 3.19 . . . . 74.3 114.027 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.53 -33.66 74.2 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.457 -0.792 . . . . 73.1 111.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 21.6 mt-30 -110.71 18.98 19.1 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.741 0.816 . . . . 74.14 111.927 -169.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -114.53 150.86 34.27 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.613 -0.514 . . . . 73.22 109.613 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.571 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 35.4 mtp85 -132.79 101.03 5.11 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.116 -1.439 . . . . 75.23 107.116 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 21.4 mt -85.56 121.09 27.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 109.334 -0.617 . . . . 73.05 109.334 -172.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mt -129.04 130.7 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 118.207 0.458 . . . . 74.22 111.165 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -111.51 99.94 8.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.941 1.296 . . . . 73.24 109.034 178.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.51 31.56 15.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 123.971 0.795 . . . . 74.33 112.546 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' HA2' HD13 ' C' ' 753' ' ' LEU . . . 96.99 17.06 33.54 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.239 0.855 . . . . 61.32 115.239 -175.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -117.37 141.12 48.71 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.13 0.965 . . . . 74.43 111.271 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 120.67 28.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.902 0.881 . . . . 73.23 110.17 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.704 ' HB3' HG23 ' A' ' 23' ' ' ILE . 2.5 mm? -86.96 106.34 17.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.363 0.665 . . . . 74.51 110.623 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.6 118.26 9.26 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.683 -0.858 . . . . 70.23 108.683 162.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 10.2 p-10 -59.78 -33.88 72.29 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.14 0.576 . . . . 65.23 111.767 -175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.1 22.21 16.23 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-O 119.901 -0.388 . . . . 74.31 113.604 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . 59.3 ttt180 -115.33 171.12 7.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.096 -1.075 . . . . 74.43 108.096 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -100.39 159.24 15.29 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.431 1.014 . . . . 72.51 111.189 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 61' ' ' ILE . 3.7 mm? -61.15 -43.99 98.02 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.011 0.82 . . . . 75.43 109.684 175.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -67.51 -25.91 66.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.881 0.697 . . . . 75.31 112.881 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.75 -18.28 64.19 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.727 0.299 . . . . 72.41 110.436 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.24 -9.43 19.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.022 0.529 . . . . 75.01 111.843 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 59.47 64.49 1.33 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.239 1.016 . . . . 72.01 110.667 -172.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.575 HG12 HD13 ' A' ' 56' ' ' LEU . 1.7 mp -67.44 109.79 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.732 -0.84 . . . . 74.52 108.732 170.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -79.83 164.26 23.75 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.754 -0.832 . . . . 74.44 108.754 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -71.81 143.9 49.34 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 122.253 -0.279 . . . . 74.42 110.289 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.77 29.41 18.01 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.673 1.189 . . . . 74.53 111.907 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -80.72 143.41 32.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.15 0.58 . . . . 74.32 111.077 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.1 106.66 18.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.335 0.654 . . . . 51.44 111.647 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HB3' HG13 ' B' ' 105' ' ' VAL . 2.7 tt -96.77 126.47 41.95 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 106.803 -1.554 . . . . 75.02 106.803 172.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 tt -99.2 131.46 46.43 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 CA-C-N 118.871 0.759 . . . . 73.54 109.623 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.608 HD13 ' HB ' ' B' ' 107' ' ' THR . 62.2 mt -99.73 107.7 19.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.633 -1.167 . . . . 75.03 108.914 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 5.2 mp -94.89 114.63 26.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.634 -1.247 . . . . 74.21 107.634 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.37 168.33 19.42 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 109.385 -0.598 . . . . 74.44 109.385 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -32.4 97.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.093 1.757 . . . . 71.22 113.581 -179.183 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.4 tp -91.87 -90.84 0.17 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.557 -1.275 . . . . 75.55 107.557 171.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.597 -1.26 . . . . 75.43 107.597 175.03 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 111.612 -0.595 . . . . 74.23 111.612 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.47 46.05 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.536 0.735 . . . . 74.05 109.768 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -84.91 164.18 18.52 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.415 -0.811 . . . . 73.44 110.517 -173.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -148.72 156.37 8.17 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 C-N-CA 123.997 0.919 . . . . 73.43 109.858 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.435 ' CD1' HG23 ' A' ' 14' ' ' THR . 18.4 m-30 -116.36 105.79 12.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.413 -1.267 . . . . 73.13 108.693 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 67' ' ' LEU . 27.1 m -99.8 107.99 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 121.877 0.846 . . . . 71.3 111.013 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.588 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 46.3 t0 -84.99 100.34 11.59 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.86 0.864 . . . . 71.34 109.917 -173.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.608 ' HB ' HD13 ' A' ' 69' ' ' LEU . 9.6 t -103.1 146.33 28.55 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.506 0.722 . . . . 74.22 112.266 -171.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.592 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.2 p -116.92 128.29 74.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.707 -0.679 . . . . 74.42 110.459 161.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -117.97 93.52 4.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.164 -0.925 . . . . 73.34 109.319 167.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . 0.411 ' HE3' ' HB ' ' A' ' 8' ' ' VAL . 40.3 t-105 -86.06 129.31 34.88 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.378 -0.971 . . . . 70.11 108.378 171.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -144.48 133.7 22.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.651 1.181 . . . . 71.33 108.774 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -97.97 116.19 29.68 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.579 0.751 . . . . 75.32 109.079 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.69 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 31.1 mt -91.61 154.63 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.96 -1.126 . . . . 72.34 107.96 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.0 p -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.542 -0.911 . . . . 73.42 108.542 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.499 HD11 HD12 ' A' ' 3' ' ' ILE . 3.5 tt -139.87 148.01 41.46 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.477 -1.675 . . . . 71.44 106.477 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.5 tt0 -117.65 125.6 51.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.118 -1.067 . . . . 73.55 108.118 169.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.6 p -132.21 170.94 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 123.109 0.564 . . . . 73.44 109.622 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.4 ' HB2' ' OD1' ' B' ' 121' ' ' ASP . 41.6 mt-10 -120.18 147.34 44.58 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.449 0.7 . . . . 75.45 109.606 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.49 -36.41 97.61 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.107 2.538 . . . . 73.55 113.458 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.5 m -79.87 -10.3 59.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.952 -0.567 . . . . 75.41 112.401 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.4 ' OD1' ' HB2' ' B' ' 118' ' ' GLU . 3.8 m-20 -81.29 158.63 24.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.361 0.265 . . . . 75.03 110.467 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -87.65 171.54 10.38 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.154 0.982 . . . . 71.11 111.194 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 33.6 mm -78.26 -23.1 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.507 -0.77 . . . . 75.03 110.16 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.07 -25.57 65.49 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.705 0.802 . . . . 73.1 111.619 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 48.9 m-80 -61.33 -56.58 18.87 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.824 0.703 . . . . 62.1 109.552 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.07 -42.19 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.976 0.91 . . . . 72.44 110.657 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -56.44 -53.08 61.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.339 1.056 . . . . 71.24 110.83 174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.43 74.1 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.393 -0.821 . . . . 65.22 111.338 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.7 mmtp -75.98 -40.8 53.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.04 0.536 . . . . 73.42 111.56 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 31.6 pt -72.36 -29.58 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.157 0.435 . . . . 75.21 110.049 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.24 -38.45 71.96 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.326 0.65 . . . . 65.14 110.864 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.67 -52.15 19.35 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.516 -0.766 . . . . 54.51 110.585 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -81.03 -56.01 4.39 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.839 -1.073 . . . . 72.51 111.214 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.64 -11.2 29.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.852 0.461 . . . . 71.22 110.969 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.31 28.96 67.0 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 123.118 0.262 . . . . 74.21 113.181 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.447 HD12 HD21 ' B' ' 169' ' ' LEU . 78.9 mt -87.75 118.15 69.38 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.797 0.839 . . . . 71.41 110.493 -176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 27.2 Cg_exo -64.9 131.16 28.05 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.49 2.127 . . . . 71.32 111.414 172.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.1 Cg_endo -45.07 -43.72 15.65 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.265 3.31 . . . . 75.12 113.945 173.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.19 -33.01 74.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 114.4 -1.273 . . . . 72.52 111.617 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.773 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 17.0 mt-30 -91.88 -6.34 51.68 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.358 0.663 . . . . 72.03 112.317 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 136.42 33.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.62 1.168 . . . . 75.33 110.695 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' B' ' 172' ' ' THR . 0.4 OUTLIER -134.05 87.24 2.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.041 0.936 . . . . 74.0 108.935 165.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.648 HD22 HG11 ' A' ' 5' ' ' VAL . 10.1 mt -81.01 105.13 12.0 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.992 -0.549 . . . . 73.23 109.56 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.61 139.01 35.9 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.683 -0.858 . . . . 63.11 108.683 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' B' ' 165' ' ' SER . 29.9 t80 -131.77 102.34 5.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.425 -0.954 . . . . 72.05 108.425 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 51.76 37.98 21.82 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.082 0.953 . . . . 64.22 111.976 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.28 -16.1 61.69 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-O 119.009 -0.884 . . . . 64.11 114.581 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.607 ' HZ1' ' HB3' ' B' ' 148' ' ' LYS . 0.3 OUTLIER -107.18 121.99 45.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 118.649 1.225 . . . . 73.1 110.218 178.154 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -75.15 139.27 42.59 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.548 -0.538 . . . . 73.34 109.548 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' B' ' 143' ' ' LEU . 2.5 mm? -77.25 114.71 16.35 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.662 0.785 . . . . 74.04 109.116 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 2.7 tm-20 -84.5 130.39 34.76 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.69 -0.856 . . . . 75.51 108.69 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -43.45 -56.95 3.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.922 1.689 . . . . 71.11 113.826 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.04 16.05 53.22 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.016 -0.538 . . . . 73.31 114.092 -174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 6.8 mtt180 -105.88 164.2 12.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.213 1.005 . . . . 74.52 108.752 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 36.9 p -96.36 165.64 12.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.689 0.757 . . . . 74.12 111.53 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.12 -37.32 78.28 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.901 -1.499 . . . . 73.23 109.745 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.3 t -65.07 -37.53 87.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.49 0.716 . . . . 72.25 111.088 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.39 -27.72 68.73 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.94 0.775 . . . . 74.21 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -100.24 -2.98 32.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.611 0.764 . . . . 62.43 111.566 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.93 61.27 3.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.51 1.124 . . . . 75.15 110.23 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.0 116.63 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.543 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -86.16 156.06 20.5 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 121.283 0.564 . . . . 74.25 110.189 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 19.6 ptmt -60.66 139.69 57.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.739 -0.837 . . . . 74.53 108.739 170.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 59.7 23.21 12.04 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.065 1.746 . . . . 73.23 112.575 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 60.6 p -58.38 141.25 51.91 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 111.586 0.217 . . . . 63.3 111.586 170.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.59 118.49 36.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.707 0.403 . . . . 75.22 109.937 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.536 HD22 HD23 ' B' ' 150' ' ' LEU . 0.5 OUTLIER -122.68 126.83 48.37 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.481 -1.674 . . . . 73.32 106.481 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 17.1 pt -91.23 132.8 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.778 -0.823 . . . . 72.52 108.778 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.611 HD12 ' HG ' ' B' ' 143' ' ' LEU . 37.4 tp -105.83 97.43 7.26 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.669 -1.234 . . . . 75.01 107.669 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 16.0 tp -94.93 155.44 16.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.171 -1.377 . . . . 65.11 108.82 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.67 156.27 39.22 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 108.056 -1.09 . . . . 73.54 108.056 171.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.773 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 12.5 t . . . . . 0 CA--C 1.566 1.578 0 CA-C-O 122.569 1.176 . . . . 75.32 113.239 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 119.966 -0.064 . . . . 73.21 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 0.4 OUTLIER -49.74 -63.82 0.99 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.806 1.317 . . . . 73.15 112.061 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.496 ' HG3' ' HG3' ' C' ' 747' ' ' LYS . 8.4 pt20 -54.91 -50.05 69.73 Favored 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.685 1.241 . . . . 74.21 110.778 -173.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.496 ' HG3' ' HG3' ' C' ' 746' ' ' GLN . 93.4 mttt -63.33 -47.06 83.79 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.134 0.573 . . . . 73.5 111.13 -173.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -50.77 -56.06 13.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.49 1.119 . . . . 73.13 111.495 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.0 pt-20 -76.16 -32.1 58.89 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.819 -0.628 . . . . 71.52 111.233 -169.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 746' ' ' GLN . 48.7 mt-10 -66.41 -52.39 47.09 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.533 -0.914 . . . . 73.44 108.533 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.39 -43.93 79.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 124.226 0.954 . . . . 74.34 110.425 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.32 -36.99 85.73 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.974 0.796 . . . . 72.33 110.589 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . 0.407 HD13 ' HA2' ' A' ' 47' ' ' GLY . 1.9 tm? -73.82 -40.71 63.14 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.735 0.814 . . . . 74.15 110.339 -177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.534 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 38.7 m-85 -59.21 -42.22 90.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.661 0.785 . . . . 72.32 109.342 171.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.467 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 18.1 t-105 -64.84 -38.37 90.75 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.397 -1.274 . . . . 72.25 110.647 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 68.5 m -61.03 -36.56 79.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.249 0.62 . . . . 65.0 110.186 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.534 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 39.7 m-85 -59.45 -57.69 11.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.822 -0.626 . . . . 74.43 110.808 169.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.517 HG13 ' O ' ' C' ' 754' ' ' PHE . 10.2 mt -65.88 -24.0 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 123.917 0.761 . . . . 75.51 111.525 -172.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -66.56 -61.68 1.86 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.153 -0.684 . . . . 75.31 109.153 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.07 66.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.085 0.554 . . . . 44.11 111.449 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.627 ' SD ' HD23 ' C' ' 765' ' ' LEU . 35.0 tpp -60.77 -59.19 5.78 Favored 'General case' 0 C--O 1.197 -1.691 0 C-N-CA 124.307 1.043 . . . . 75.1 109.168 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' C' ' 816' ' ' ARG . 95.5 mt -77.77 -13.18 59.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.353 0.661 . . . . 73.41 112.331 -175.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.4 m -73.48 -21.58 60.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.079 0.951 . . . . 73.21 111.285 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.76 -51.18 2.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.814 0.446 . . . . 74.52 109.892 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.627 HD23 ' SD ' ' C' ' 761' ' ' MET . 10.4 mp -82.94 60.03 5.2 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.501 1.12 . . . . 74.13 109.744 171.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.91 84.47 2.84 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.036 -0.984 . . . . 72.21 109.168 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 69.8 m 127.22 105.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 128.389 2.676 . . . . 70.45 108.703 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.661 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 0.4 OUTLIER -156.83 158.36 36.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 70.15 109.955 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.9 t -70.02 158.06 36.35 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 120.535 0.207 . . . . 62.44 110.796 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.07 -37.67 80.58 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.703 0.801 . . . . 74.44 109.768 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.8 -32.24 67.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.204 0.602 . . . . 73.11 112.145 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.661 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 98.3 mtt180 -69.46 -52.15 29.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.937 0.495 . . . . 75.14 110.234 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.4 HD12 HD21 ' C' ' 799' ' ' LEU . 2.8 pp -71.59 -26.02 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 116.681 -0.236 . . . . 75.14 111.399 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.07 -52.08 65.34 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 108.747 -0.834 . . . . 75.35 108.747 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -55.34 -43.85 75.37 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.448 1.093 . . . . 73.53 111.975 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.458 ' HG3' ' HE1' ' C' ' 761' ' ' MET . 89.7 mmm -58.82 -61.74 2.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.699 -0.682 . . . . 73.0 110.578 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.486 HD21 HD23 ' C' ' 795' ' ' LEU . 10.4 mp -57.54 -30.02 64.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 115.623 -0.717 . . . . 73.24 112.111 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -66.6 -43.41 84.92 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.989 0.805 . . . . 75.32 109.968 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 779' ' ' MET . . . . . 0.531 ' HE3' HG21 ' C' ' 783' ' ' THR . 4.5 ttp -58.89 -51.38 70.26 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.996 -0.742 . . . . 71.43 108.996 173.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.92 -31.36 71.67 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.688 -0.687 . . . . 72.25 112.563 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.495 HG22 HG22 ' C' ' 790' ' ' ILE . 1.1 p -84.65 -28.8 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 122.976 0.51 . . . . 73.34 111.057 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.53 -27.97 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.703 0.401 . . . . 74.23 111.813 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 783' ' ' THR . . . . . 0.531 HG21 ' HE3' ' C' ' 779' ' ' MET . 16.9 p -65.22 -25.64 67.77 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.961 0.504 . . . . 72.55 112.107 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.99 -170.22 12.84 Favored Glycine 0 C--O 1.242 0.627 0 N-CA-C 111.407 -0.677 . . . . 74.03 111.407 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -83.04 10.14 3.78 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.349 2.699 . . . . 73.14 111.905 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' C' ' 781' ' ' VAL . . . -49.07 109.16 0.23 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.736 1.614 . . . . 74.51 112.485 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 46.6 mt 58.78 9.69 1.25 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.835 1.254 . . . . 72.21 113.656 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.36 41.36 31.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.279 1.032 . . . . 73.14 111.752 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 70.59 117.16 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.778 1.631 . . . . 74.42 111.679 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.495 HG22 HG22 ' C' ' 781' ' ' VAL . 15.7 pt -65.9 164.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.04 0.936 . . . . 72.44 111.71 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -118.73 169.19 10.05 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.711 -1.131 . . . . 75.42 108.858 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.38 -40.62 95.01 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.988 0.915 . . . . 74.24 111.697 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.41 -38.76 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.737 0.415 . . . . 74.31 110.787 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.71 -45.29 71.98 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.89 0.876 . . . . 74.3 110.214 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.495 HD11 HD22 ' C' ' 799' ' ' LEU . 1.9 tm? -74.81 -48.6 24.42 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 114.589 -1.187 . . . . 74.31 110.076 -174.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.93 -44.63 87.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.045 0.938 . . . . 72.22 110.582 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.15 92.28 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.94 0.775 . . . . 73.04 113.35 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.467 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 13.1 t80 -62.09 -53.14 59.69 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.223 0.535 . . . . 74.45 110.67 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.495 HD22 HD11 ' C' ' 795' ' ' LEU . 4.3 mm? -58.77 -47.6 84.11 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.941 -1.027 . . . . 75.22 111.26 178.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -51.24 -48.44 62.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.191 1.396 . . . . 74.32 110.909 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -57.89 -53.69 55.32 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 124.282 0.989 . . . . 62.04 110.043 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -58.38 -34.69 71.0 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.782 0.66 . . . . 73.51 112.782 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.482 HG23 ' O ' ' C' ' 799' ' ' LEU . 92.0 t -63.71 -49.64 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 109.189 -0.671 . . . . 71.4 109.189 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -79.44 -5.75 55.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.019 -0.991 . . . . 75.43 112.927 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -94.14 8.44 41.6 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.421 1.089 . . . . 74.01 111.075 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.33 21.28 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.776 1.23 . . . . 74.21 110.829 -175.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -104.74 -26.51 12.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.031 0.932 . . . . 73.41 110.845 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 151.38 48.88 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.14 0.976 . . . . 74.31 109.901 -176.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.08 132.27 63.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.981 0 C-N-CA 124.062 0.945 . . . . 75.34 108.901 168.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.45 129.06 56.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.743 1.217 . . . . 73.35 108.37 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 60.5 p -111.46 -143.78 0.39 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.986 -1.487 . . . . 75.11 106.986 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.76 74.55 1.57 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.966 0.803 . . . . 63.42 111.415 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.27 21.2 79.27 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.875 -0.602 . . . . 71.43 112.24 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.22 131.74 63.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.788 0.835 . . . . 73.44 110.213 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -99.66 149.62 23.12 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.999 0.919 . . . . 75.24 111.848 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.641 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.17 145.43 15.03 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.519 1.137 . . . . 75.1 110.3 172.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.522 ' H ' ' HB3' ' C' ' 762' ' ' LEU . 0.5 OUTLIER -72.05 123.3 89.27 Favored Pre-proline 0 C--O 1.243 0.744 0 N-CA-C 108.528 -0.916 . . . . 75.04 108.528 171.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 C--N 1.376 2.024 0 C-N-CA 123.7 2.934 . . . . 72.42 114.598 -178.643 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 120.399 -0.112 . . . . 71.31 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HE1' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -113.63 142.62 45.77 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.907 -0.775 . . . . 73.03 108.907 -177.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.524 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -101.88 155.35 18.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.803 -1.09 . . . . 74.43 108.569 -175.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' B' ' 115' ' ' LEU . 19.0 pt -133.94 159.47 42.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.025 0 N-CA-C 109.239 -0.652 . . . . 73.33 109.239 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 18.4 m-85 -108.64 113.17 25.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.679 -1.146 . . . . 73.53 108.108 172.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 60.5 t -90.57 93.57 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 106.504 -1.665 . . . . 74.25 106.504 177.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -97.27 100.32 11.78 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.509 0.671 . . . . 74.14 109.262 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -93.73 142.47 27.32 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.926 -1.033 . . . . 74.31 110.069 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.13 127.05 45.46 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 108.297 -1.001 . . . . 63.42 108.297 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 97.7 mt-30 -109.93 83.4 1.75 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.875 -0.602 . . . . 61.22 109.398 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.727 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 55.9 t-105 -99.36 112.89 24.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.322 1.849 . . . . 74.53 107.06 173.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -160.52 147.96 15.98 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.973 0.795 . . . . 73.11 109.932 -169.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 13.9 m -103.01 121.33 42.33 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.884 -0.598 . . . . 74.03 110.085 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mm -94.36 133.12 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.217 1.007 . . . . 71.44 109.168 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 m -99.29 125.85 45.0 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.155 -0.683 . . . . 72.02 109.155 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.64 HD21 HG21 ' B' ' 105' ' ' VAL . 1.3 pt? -143.24 171.97 13.37 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.875 0.87 . . . . 74.41 108.942 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -106.92 161.52 14.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.447 0.641 . . . . 44.02 110.218 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG11 ' HE1' ' B' ' 101' ' ' MET . 14.3 p -156.49 160.83 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-N 114.129 -1.396 . . . . 72.23 110.835 171.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.98 140.42 21.22 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 124.197 0.999 . . . . 65.13 110.014 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 57.4 Cg_endo -68.57 -24.6 35.61 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.718 2.279 . . . . 74.32 111.925 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -79.28 -20.24 48.53 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.851 1.261 . . . . 71.33 112.464 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.16 165.19 14.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.903 0.382 . . . . 74.4 110.282 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -73.87 154.99 39.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.547 0.739 . . . . 73.32 111.785 171.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 50' ' ' LEU . 51.4 mm -54.17 -27.84 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.137 1.375 . . . . 71.22 111.638 172.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -44.16 -39.73 4.53 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.989 1.716 . . . . 74.12 112.841 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -67.52 -45.3 76.17 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-O 119.242 -0.408 . . . . 72.35 110.684 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 HD11 ' A' ' 56' ' ' LEU . 57.3 t -62.58 -51.71 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.732 0.777 . . . . 74.3 109.418 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -57.83 -42.21 83.87 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 112.843 -1.981 . . . . 74.22 111.0 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.88 69.36 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.691 -0.686 . . . . 73.34 111.419 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 92.3 mttt -64.18 -52.68 57.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 72.33 110.153 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 36' ' ' ILE . 11.0 pt -70.98 -28.13 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.736 0.414 . . . . 74.3 111.3 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.06 -36.85 82.95 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.17 0.51 . . . . 74.52 111.085 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -74.56 -46.82 36.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.696 0.798 . . . . 75.13 111.124 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.7 mmtt -81.15 -57.34 3.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.158 -0.928 . . . . 73.41 110.161 -174.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.73 -6.67 45.62 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.921 0.489 . . . . 73.31 112.189 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.52 18.82 77.36 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-O 119.813 -0.437 . . . . 74.22 113.785 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.577 HD12 HG13 ' A' ' 30' ' ' ILE . 2.5 pp -76.55 119.35 77.02 Favored Pre-proline 0 CA--C 1.557 1.23 0 N-CA-C 109.163 -0.68 . . . . 75.42 109.163 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -83.91 107.53 1.32 Allowed 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.84 2.36 . . . . 70.21 110.868 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -48.87 -32.05 21.64 Favored 'Trans proline' 0 N--CA 1.514 2.69 0 C-N-CA 124.604 3.536 . . . . 71.12 114.962 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.05 -45.99 75.32 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.977 -1.01 . . . . 71.25 111.337 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 3.6 pt20 -113.27 16.73 18.99 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.26 1.024 . . . . 63.41 111.221 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 69' ' ' LEU . 46.6 tp60 -127.23 109.19 11.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.841 -1.17 . . . . 72.2 107.841 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.587 HH22 HG21 ' C' ' 756' ' ' THR . 0.5 OUTLIER -78.07 101.25 6.87 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.384 0.674 . . . . 74.13 109.887 178.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.19 116.88 17.31 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.913 0.885 . . . . 73.22 108.997 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG21 ' HH ' ' C' ' 757' ' ' TYR . 50.0 mt -124.59 131.55 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.253 -0.647 . . . . 75.31 109.253 176.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -123.71 96.75 5.08 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.964 -1.124 . . . . 73.15 107.964 -177.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.36 33.38 23.08 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.783 0.833 . . . . 74.52 111.693 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.1 -4.7 65.36 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 114.62 0.608 . . . . 75.01 114.62 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -99.15 124.36 44.13 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.875 0.838 . . . . 64.31 110.772 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -79.5 124.11 28.18 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.138 -0.69 . . . . 72.12 109.138 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 23' ' ' ILE . 32.5 mt -85.07 119.31 25.33 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.427 0.691 . . . . 74.43 112.016 -171.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 32.9 tt0 -80.95 134.67 35.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.945 0.898 . . . . 74.51 109.174 173.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.96 -54.05 8.96 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.58 1.552 . . . . 75.12 112.374 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.04 18.2 57.82 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 114.295 -1.321 . . . . 74.3 113.579 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 3.4 tpt180 -81.16 173.22 12.75 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.172 -1.047 . . . . 74.1 108.172 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.68 151.79 26.44 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.61 -0.885 . . . . 73.53 108.61 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 61' ' ' ILE . 4.1 mm? -62.15 -46.03 90.81 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 109.863 -0.421 . . . . 75.12 109.863 176.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -61.83 -29.3 70.07 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.355 0.502 . . . . 75.41 112.355 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.34 -37.73 65.24 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.986 0.915 . . . . 73.34 111.354 173.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.512 ' HH ' ' HA ' ' A' ' 50' ' ' LEU . 54.0 m-85 -92.85 -6.34 48.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.827 -0.624 . . . . 73.52 111.303 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.31 55.9 4.77 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 122.407 1.099 . . . . 64.45 109.476 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 56' ' ' LEU . 32.8 mm -70.21 95.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 113.959 -1.473 . . . . 75.45 109.078 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -79.75 166.1 22.11 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.904 -1.044 . . . . 71.45 110.331 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.7 ttmt -65.95 138.52 57.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.314 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.557 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 45.9 mt-10 63.61 25.44 14.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.057 1.343 . . . . 71.24 112.595 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -75.93 142.72 41.96 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 122.632 0.373 . . . . 64.11 110.633 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.04 110.72 21.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.426 0.69 . . . . 64.32 111.313 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 2.1 tt -89.17 144.48 26.08 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.298 -1.371 . . . . 75.4 107.298 169.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.583 HD11 ' HH2' ' A' ' 10' ' ' TRP . 8.1 tp -123.78 127.23 73.72 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 121.445 0.64 . . . . 71.54 109.642 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 30' ' ' ILE . 42.9 mt -100.17 114.41 27.8 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.378 -0.828 . . . . 72.43 110.573 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.24 117.04 33.0 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.283 -1.377 . . . . 74.03 107.283 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.13 173.91 7.02 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 118.552 0.614 . . . . 70.24 110.481 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 27.6 m -35.21 109.32 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.421 1.088 . . . . 71.44 112.975 171.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' C' ' 760' ' ' ALA . 0.0 OUTLIER -135.59 -69.2 0.5 Allowed 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.762 -1.57 . . . . 74.12 106.762 176.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.504 ' HG2' HD12 ' A' ' 73' ' ' LEU . 20.3 mmt85 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.842 -1.072 . . . . 75.13 108.652 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.528 -0.229 . . . . 73.31 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.469 ' HE1' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -87.08 147.9 25.48 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.123 -1.066 . . . . 75.2 108.123 173.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.496 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 3.1 mm-40 -82.01 155.53 25.12 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.525 -0.917 . . . . 73.14 108.525 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -139.79 153.55 23.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 C-N-CA 123.651 0.78 . . . . 75.32 109.954 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.98 103.05 10.54 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.099 -0.955 . . . . 73.3 108.533 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.64 HG21 HD21 ' A' ' 15' ' ' LEU . 53.5 t -99.36 108.29 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 109.913 -0.403 . . . . 72.42 109.913 -176.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.545 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 30.6 t0 -82.37 103.49 11.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.327 -0.619 . . . . 75.54 109.327 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.0 t -97.67 146.73 25.04 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.821 1.248 . . . . 52.24 110.539 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.727 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 11.7 p -136.14 126.07 40.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.088 0.471 . . . . 64.25 111.277 166.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -132.5 141.67 48.87 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.118 -0.946 . . . . 73.34 109.026 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -68.28 151.66 46.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.861 -0.792 . . . . 74.11 108.861 168.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -148.34 112.07 5.08 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.177 -0.675 . . . . 75.3 109.177 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -93.8 130.57 39.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.687 0.795 . . . . 72.32 110.428 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 28.6 mt -110.48 160.64 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.43 1.092 . . . . 74.14 108.145 173.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 19.6 p -123.89 127.0 47.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 63.24 109.324 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.452 HD12 HG21 ' B' ' 126' ' ' VAL . 4.3 tt -133.59 150.96 51.62 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.798 -1.556 . . . . 74.12 106.798 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.6 tt0 -119.49 129.15 54.57 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.063 0.847 . . . . 72.12 109.144 168.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -132.81 169.0 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.122 0.569 . . . . 73.5 109.977 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -112.93 156.58 42.48 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 108.958 -0.756 . . . . 71.52 108.958 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -63.8 -27.6 67.79 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.181 1.921 . . . . 61.44 111.296 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -80.37 -9.68 59.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 72.12 112.903 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.86 156.65 30.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.621 0.368 . . . . 74.12 110.309 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.4 p -92.83 165.06 13.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.774 0.83 . . . . 75.42 110.84 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.426 ' HA ' HG11 ' B' ' 126' ' ' VAL . 35.2 mm -73.65 -23.14 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 114.604 -1.18 . . . . 73.41 110.612 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.48 -32.58 67.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.66 0.384 . . . . 74.03 110.028 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 62.0 m-20 -68.92 -53.87 18.63 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.159 -0.928 . . . . 65.43 110.328 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.452 HG21 HD12 ' B' ' 115' ' ' LEU . 14.4 p -62.89 -38.05 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.652 0.595 . . . . 74.52 111.177 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 54.4 pttt -70.07 -36.65 75.11 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 121.097 0.475 . . . . 74.12 110.297 176.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.52 61.09 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 119.338 -0.363 . . . . 75.24 111.603 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 73.1 mmtt -76.39 -46.3 27.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.035 0.534 . . . . 73.13 110.104 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.547 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.2 pt -66.4 -33.68 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 N-CA-C 109.976 -0.379 . . . . 73.11 109.976 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -66.91 -47.74 70.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.809 0.443 . . . . 54.41 111.978 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.58 -52.36 61.32 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.441 0.696 . . . . 65.3 110.88 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.624 ' HB3' ' HZ2' ' B' ' 133' ' ' LYS . 8.3 mtpm? -80.41 -54.15 5.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.514 -1.221 . . . . 74.33 111.691 -172.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.424 ' HG3' HD13 ' B' ' 113' ' ' ILE . 27.3 mm-40 -95.93 -15.3 22.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.512 -0.313 . . . . 75.32 111.038 -166.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.98 14.63 80.44 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.312 0.382 . . . . 72.41 112.964 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.547 HD12 ' HB ' ' B' ' 130' ' ' ILE . 88.0 mt -70.05 124.06 89.98 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 123.919 0.888 . . . . 74.33 109.822 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.645 ' HB2' ' HB2' ' B' ' 140' ' ' GLN . 34.8 Cg_endo -63.07 112.67 1.75 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 121.634 1.556 . . . . 73.42 109.077 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 56.7 Cg_endo -65.15 -42.01 14.99 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.38 2.72 . . . . 72.33 114.137 -161.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -88.87 -32.23 17.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.545 0.738 . . . . 74.32 111.319 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.774 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 23.6 mt-30 -75.68 -19.57 59.05 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.465 0.478 . . . . 70.21 111.079 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -129.58 86.11 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.563 -1.273 . . . . 74.44 107.563 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -80.82 138.37 36.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.928 -1.487 . . . . 75.31 110.724 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.2 tp -81.29 132.35 35.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.589 0.756 . . . . 73.54 109.765 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -116.81 138.37 51.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.957 0.903 . . . . 74.21 109.347 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.491 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 0.9 OUTLIER -118.65 101.78 8.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.336 -0.987 . . . . 65.13 108.336 -176.115 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.39 26.57 5.49 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.342 0.867 . . . . 74.33 113.342 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.43 36.09 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.326 0.49 . . . . 70.01 114.326 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.2 OUTLIER -137.24 117.91 13.98 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.442 -0.947 . . . . 75.4 108.442 172.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -74.22 155.71 38.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.646 0.26 . . . . 65.14 110.4 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.11 120.46 38.55 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.389 -0.967 . . . . 72.41 108.389 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.08 128.34 35.42 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.942 -0.762 . . . . 73.24 108.942 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.306 0.642 . . . . 75.41 112.124 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.41 15.26 63.65 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.69 -0.506 . . . . 72.21 113.5 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -105.35 176.95 4.99 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 117.5 0.65 . . . . 63.44 109.916 -177.018 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 19.9 m -108.84 156.61 19.46 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.596 0.759 . . . . 71.5 110.096 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.31 -42.13 96.48 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.807 0.843 . . . . 74.42 110.378 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -63.14 -31.39 72.53 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.187 0.595 . . . . 65.44 112.05 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.37 -31.1 63.49 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 74.42 111.538 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -102.06 -7.79 22.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.38 0.672 . . . . 75.54 111.666 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.71 53.88 11.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.225 1.01 . . . . 64.23 110.272 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.451 HD13 ' HE2' ' B' ' 145' ' ' PHE . 5.4 mm -59.19 124.68 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.581 1.152 . . . . 73.11 110.437 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -92.94 156.34 16.99 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.947 0.88 . . . . 74.35 111.67 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -65.65 141.58 58.34 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 114.651 -1.159 . . . . 63.2 109.186 173.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 58.32 24.41 11.56 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.992 1.317 . . . . 53.24 112.358 -172.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.7 t -62.23 119.12 8.4 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-N 118.083 0.401 . . . . 50.0 110.684 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -92.75 100.44 12.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.057 0.543 . . . . 72.22 109.894 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.13 144.6 25.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.749 0.82 . . . . 71.32 109.19 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 14.9 tt -99.89 120.67 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.977 -0.749 . . . . 73.34 108.977 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 35.9 tp -74.13 130.29 39.49 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.254 -0.647 . . . . 72.24 109.254 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.02 157.15 31.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.108 0.963 . . . . 74.53 110.116 -173.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.37 163.55 27.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.861 0.864 . . . . 75.14 110.498 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.774 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 3.8 t . . . . . 0 N--CA 1.479 0.997 0 C-N-CA 124.576 1.15 . . . . 73.44 112.055 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . 0.426 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 112.836 0.68 . . . . 73.03 112.836 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.14 -39.63 94.42 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.311 1.044 . . . . 73.13 111.273 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.21 -37.54 55.3 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.007 0.817 . . . . 74.31 111.735 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 47.6 mtmt -71.0 -58.3 3.7 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 123.723 0.809 . . . . 73.35 111.623 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.65 -46.07 14.39 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 124.741 1.276 . . . . 72.34 112.142 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -80.17 -23.59 40.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.967 -0.56 . . . . 73.12 110.494 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.92 -39.81 79.42 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.518 -0.549 . . . . 75.34 109.518 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.82 -41.26 95.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.227 1.011 . . . . 75.04 109.742 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.43 -36.92 82.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.472 -0.785 . . . . 75.41 109.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.05 -40.21 87.09 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.531 0.732 . . . . 63.11 110.229 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -61.4 -42.65 99.07 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.53 -0.759 . . . . 72.01 110.683 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -71.25 -27.14 63.24 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 114.846 -1.07 . . . . 75.44 110.324 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 756' ' ' THR . . . . . 0.587 HG21 HH22 ' A' ' 42' ' ' ARG . 81.7 m -66.36 -37.43 85.28 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.568 -0.53 . . . . 73.14 109.568 172.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.432 ' HH ' HG21 ' A' ' 44' ' ' ILE . 42.7 m-85 -64.08 -59.55 4.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 119.667 -0.206 . . . . 75.01 110.775 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.523 HG23 HD11 ' C' ' 762' ' ' LEU . 32.2 mt -61.99 -45.29 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 124.134 0.896 . . . . 75.12 110.533 -173.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.09 -42.74 84.12 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 119.116 -0.468 . . . . 72.53 110.842 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 73' ' ' LEU . . . -72.2 -36.64 69.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.311 0.485 . . . . 73.22 112.311 -175.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.508 ' HE1' HD22 ' C' ' 768' ' ' LEU . 23.8 ptm -66.96 -41.13 87.43 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 107.995 -1.113 . . . . 54.12 107.995 171.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.693 HD13 HD23 ' C' ' 808' ' ' LEU . 20.5 mt -68.62 -13.6 62.46 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.562 0.745 . . . . 75.14 112.921 173.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 95.1 m -75.49 -15.96 60.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.248 0.619 . . . . 71.31 110.675 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -120.92 -60.43 1.65 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 73.45 110.154 175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -91.66 75.36 5.81 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 107.325 -1.361 . . . . 72.55 107.325 172.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.63 28.67 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.814 1.042 . . . . 74.23 113.814 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 23.2 m -158.51 123.87 4.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.502 1.521 . . . . 72.33 107.123 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.613 HD23 ' HG ' ' C' ' 762' ' ' LEU . 0.8 OUTLIER -157.98 149.68 21.67 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.013 0.369 . . . . 71.11 111.859 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 43.6 m -74.56 150.48 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.226 0.536 . . . . 71.01 110.455 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.471 HD22 HE22 ' C' ' 796' ' ' GLN . 1.8 tp -66.86 -43.24 84.1 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.955 1.302 . . . . 71.51 112.332 -174.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.87 -36.39 48.37 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.201 0.6 . . . . 72.23 111.681 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -57.59 -61.66 2.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.158 0.983 . . . . 62.35 111.115 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.605 HD12 HD11 ' C' ' 799' ' ' LEU . 2.5 pp -72.15 -25.33 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.044 -0.98 . . . . 73.45 110.937 -172.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -62.39 -55.39 28.37 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 109.451 -0.574 . . . . 71.51 109.451 171.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -65.05 -30.16 71.1 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 123.63 0.581 . . . . 74.04 112.181 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.422 ' SD ' ' HE2' ' C' ' 761' ' ' MET . 83.2 mtp -64.77 -59.08 4.63 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.434 0.294 . . . . 71.13 110.245 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.52 -35.69 72.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.363 0.665 . . . . 75.44 111.801 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.68 -47.44 81.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.023 -0.99 . . . . 74.51 109.767 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -54.43 -55.91 24.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.364 0.665 . . . . 75.34 110.38 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.34 -23.08 66.91 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.342 0.868 . . . . 74.22 113.342 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.594 HG12 HG12 ' C' ' 790' ' ' ILE . 7.6 p -83.41 -38.64 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 118.84 0.746 . . . . 75.53 111.836 175.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.37 -22.11 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 112.592 0.59 . . . . 72.2 112.592 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 7.1 p -63.34 -19.15 64.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 112.216 0.45 . . . . 75.53 112.216 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -141.38 -171.51 12.76 Favored Glycine 0 N--CA 1.466 0.666 0 O-C-N 123.67 0.606 . . . . 62.15 111.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.27 -33.57 38.67 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.691 2.261 . . . . 74.11 111.734 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 29.65 -89.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.452 2.301 . . . . 74.13 114.723 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 -0.87 6.78 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.355 1.062 . . . . 72.05 111.177 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.31 64.31 0.97 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.747 1.219 . . . . 51.34 109.846 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 69.12 117.97 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.204 1.401 . . . . 73.43 111.644 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.594 HG12 HG12 ' C' ' 781' ' ' VAL . 26.3 pt -84.8 155.42 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.168 -1.049 . . . . 75.5 108.168 164.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -126.03 163.31 23.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.44 -0.578 . . . . 71.05 109.44 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.8 -43.35 76.77 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 124.188 0.995 . . . . 74.2 112.124 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' C' ' 794' ' ' GLU . 10.5 pt20 -48.18 -45.05 33.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 73.12 110.861 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' C' ' 793' ' ' GLN . 7.2 tp10 -86.4 -28.69 23.42 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.271 -1.331 . . . . 72.34 110.637 -173.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.575 HD22 HD11 ' C' ' 790' ' ' ILE . 1.2 tm? -81.77 -57.21 3.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.37 1.068 . . . . 70.42 109.849 -176.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . 0.471 HE22 HD22 ' C' ' 770' ' ' LEU . 11.2 mm100 -52.9 -46.47 68.01 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.239 1.016 . . . . 73.31 109.607 167.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -53.02 -44.68 62.36 Favored Glycine 0 C--N 1.355 1.63 0 O-C-N 124.481 1.113 . . . . 54.05 114.546 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -47.09 87.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.921 0.888 . . . . 74.41 110.677 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.605 HD11 HD12 ' C' ' 773' ' ' ILE . 16.9 mt -69.44 -46.13 67.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.17 -1.377 . . . . 74.45 112.531 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.7 -31.53 72.8 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.886 -0.783 . . . . 75.14 108.886 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -52.81 62.4 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 107.861 -1.163 . . . . 64.52 107.861 174.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -56.14 -37.57 69.67 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.634 0.584 . . . . 74.24 112.349 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.409 HG21 ' O ' ' C' ' 799' ' ' LEU . 93.8 t -63.39 -45.49 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 122.989 0.516 . . . . 75.55 110.745 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -79.78 -9.2 59.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.385 0.674 . . . . 73.12 112.133 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -100.79 10.38 41.21 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.737 0.815 . . . . 74.42 110.312 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 61.46 12.8 4.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.54 1.536 . . . . 73.2 113.014 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . 0.427 ' O ' ' HD2' ' C' ' 818' ' ' PRO . 17.8 mm100 -78.64 -38.96 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.565 0.746 . . . . 75.43 109.472 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.693 HD23 HD13 ' C' ' 762' ' ' LEU . 28.3 mt -126.92 157.44 39.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.106 0.962 . . . . 74.33 111.033 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . 0.462 HG13 ' HD3' ' C' ' 818' ' ' PRO . 5.1 p -128.99 131.77 67.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 107.438 -1.319 . . . . 75.2 107.438 171.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.46 109.6 21.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.345 -0.983 . . . . 74.44 108.345 -176.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.532 ' HB3' HG22 ' C' ' 814' ' ' VAL . 27.5 t -85.68 -145.27 0.1 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.381 -0.97 . . . . 71.4 108.381 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.69 75.46 1.11 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.367 0.985 . . . . 75.35 110.685 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.7 14.36 75.28 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 116.358 -0.383 . . . . 63.42 113.897 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.532 HG22 ' HB3' ' C' ' 811' ' ' SER . 10.4 m -123.49 151.59 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.148 -0.686 . . . . 74.4 109.148 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 135.3 41.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.237 -0.653 . . . . 74.23 109.237 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.96 137.09 53.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.682 -1.145 . . . . 74.4 108.457 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.665 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 10.3 tp -88.4 106.32 12.17 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.983 -1.117 . . . . 71.33 107.983 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . 0.462 ' HD3' HG13 ' C' ' 809' ' ' VAL . 33.1 Cg_endo . . . . . 0 C--N 1.383 2.364 0 C-N-CA 122.762 2.308 . . . . 63.53 112.215 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.702 -0.159 . . . . 71.33 112.702 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.82 -176.13 5.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.076 0.941 . . . . 63.42 109.805 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -122.5 161.14 24.17 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.608 -1.633 . . . . 75.53 108.011 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.34 145.55 32.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.124 -0.695 . . . . 73.42 109.124 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CD1' HG21 ' B' ' 114' ' ' THR . 9.3 m-30 -102.87 101.81 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 106.94 -1.504 . . . . 74.41 106.94 169.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.665 HG12 HD22 ' B' ' 143' ' ' LEU . 86.1 t -91.76 96.36 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 108.548 -0.908 . . . . 72.11 108.548 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -79.42 96.48 6.06 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.358 -0.608 . . . . 71.55 109.358 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -88.7 106.12 18.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.763 0.792 . . . . 72.13 109.11 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' B' ' 110' ' ' TRP . 5.0 p -95.38 137.68 22.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 115.169 -0.923 . . . . 74.03 109.624 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -140.17 143.62 36.21 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 123.899 0.879 . . . . 51.1 109.817 -170.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.611 ' HH2' ' SD ' ' C' ' 776' ' ' MET . 0.1 OUTLIER -112.67 124.76 53.28 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.079 -1.082 . . . . 73.14 108.079 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.07 113.23 14.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.645 0.778 . . . . 72.44 110.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 19.9 m -77.59 104.17 7.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.242 -0.651 . . . . 71.14 109.242 172.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 10.3 mt -90.8 150.85 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 108.769 -0.826 . . . . 74.14 108.769 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -107.55 121.14 44.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.887 -1.153 . . . . 74.31 107.887 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD22 HG21 ' B' ' 105' ' ' VAL . 1.1 pt? -135.52 164.5 27.68 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.503 0.721 . . . . 74.45 109.111 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.53 147.48 35.27 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.442 0.697 . . . . 72.12 109.956 173.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.609 HG12 ' HE2' ' B' ' 101' ' ' MET . 11.2 p -157.39 163.05 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.236 -0.893 . . . . 72.13 110.606 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -108.01 151.53 41.33 Favored Pre-proline 0 N--CA 1.485 1.308 0 C-N-CA 123.553 0.741 . . . . 73.51 110.13 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.29 -29.48 46.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.679 2.252 . . . . 71.31 111.872 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -84.55 -9.94 57.87 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.71 1.204 . . . . 75.04 111.714 -175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -72.38 152.62 41.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 109.767 -0.457 . . . . 73.05 109.767 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -76.95 157.8 31.06 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.591 0.71 . . . . 61.54 110.253 167.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.623 HG21 ' HB3' ' A' ' 50' ' ' LEU . 42.8 mm -67.14 -26.59 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 114.881 -1.054 . . . . 74.42 109.242 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -49.02 -43.97 40.94 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.574 1.149 . . . . 74.1 111.177 170.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -57.08 -52.26 65.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.158 0.911 . . . . 73.41 111.111 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.97 -47.77 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.809 0.843 . . . . 75.33 111.435 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -72.44 -29.73 63.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.845 0.458 . . . . 75.32 111.189 -177.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.08 78.57 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.573 0.349 . . . . 71.01 110.776 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -80.08 -35.9 36.29 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.749 0.648 . . . . 74.22 112.749 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' A' ' 27' ' ' LYS . 2.9 pp -68.69 -32.8 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 119.543 1.065 . . . . 74.01 109.269 172.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.92 -43.13 89.04 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.086 -0.506 . . . . 74.44 110.566 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.67 -49.29 69.11 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.264 1.026 . . . . 75.21 111.5 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.77 -60.03 2.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.105 -0.952 . . . . 74.11 110.534 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HG2' HD11 ' A' ' 36' ' ' ILE . 5.2 tp10 -87.49 -30.45 20.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.808 0.443 . . . . 72.45 111.636 -169.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.26 25.58 16.12 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 113.476 0.15 . . . . 70.02 113.476 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 34' ' ' GLU . 27.5 mt -85.26 123.1 73.62 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 123.283 0.633 . . . . 73.4 109.946 -176.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 15.8 Cg_exo -69.4 116.09 4.36 Favored 'Trans proline' 0 CA--C 1.559 1.745 0 C-N-CA 122.484 2.123 . . . . 73.5 111.165 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.66 -24.7 54.98 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.469 2.779 . . . . 75.2 113.963 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.6 -33.69 76.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.271 -0.877 . . . . 75.14 111.821 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.504 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.6 pt20 -100.35 18.68 18.29 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.376 0.608 . . . . 74.12 111.261 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HG3' HD12 ' A' ' 69' ' ' LEU . 17.5 tt0 -105.33 142.15 35.6 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.516 1.126 . . . . 72.42 111.101 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 3.3 mpt_? -124.36 84.23 2.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.537 -1.283 . . . . 75.02 107.537 163.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 121.22 24.75 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.134 -1.432 . . . . 75.41 107.134 174.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' ' 49' ' ' GLN . 12.6 mt -126.9 139.56 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 109.466 -0.568 . . . . 65.34 109.466 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 37.8 t80 -122.96 109.91 14.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 74.43 109.055 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.32 18.68 5.68 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.074 0.95 . . . . 75.33 112.736 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' C' ' 753' ' ' LEU . . . 93.69 27.16 13.27 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 114.572 0.589 . . . . 61.31 114.572 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -139.2 119.08 13.28 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.245 -1.02 . . . . 71.22 108.245 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.583 ' HG3' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -73.04 131.01 41.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.785 0.834 . . . . 72.14 111.349 -171.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.8 mm? -73.36 98.2 2.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.301 1.04 . . . . 75.25 109.989 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 32.8 mm-40 -70.91 142.25 51.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.796 0.838 . . . . 63.02 111.669 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -41.57 -64.51 0.56 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.321 1.848 . . . . 75.04 113.132 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.88 31.46 8.17 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.836 -0.62 . . . . 71.22 113.263 -177.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 8.7 tpt180 -89.59 -179.85 5.88 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.82 -1.178 . . . . 74.2 107.82 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 151.75 36.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.278 0.631 . . . . 74.12 109.409 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.433 HD22 HD12 ' A' ' 23' ' ' ILE . 4.1 mm? -58.54 -41.74 86.23 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.328 0.651 . . . . 74.24 110.62 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -62.9 -27.19 69.2 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.173 0.989 . . . . 74.32 112.653 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.12 -31.98 70.56 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.117 0.484 . . . . 63.22 110.987 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HB2' HG13 ' A' ' 61' ' ' ILE . 75.7 m-85 -97.01 1.44 50.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.647 0.779 . . . . 73.41 110.355 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t30 59.15 30.79 20.65 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.222 1.009 . . . . 72.53 109.931 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 59' ' ' TYR . 49.5 mt -63.16 111.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 114.953 -1.021 . . . . 74.43 109.78 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -108.77 -171.82 1.93 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.395 1.078 . . . . 74.33 108.875 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -65.81 155.2 36.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.297 0.239 . . . . 74.42 110.545 177.172 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 39.27 52.14 2.14 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.093 1.757 . . . . 73.4 113.253 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.063 -0.971 . . . . 65.43 108.984 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.49 123.33 38.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.11 0.564 . . . . 74.34 111.042 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.533 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 1.2 mp -114.11 156.6 23.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.579 -1.267 . . . . 72.4 107.579 175.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.96 134.22 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.916 -0.772 . . . . 73.32 108.916 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD21 ' H ' ' B' ' 108' ' ' VAL . 39.0 tp -93.01 128.8 39.0 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.1 -0.955 . . . . 75.55 110.135 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' C' ' 760' ' ' ALA . 3.7 mp -120.57 158.37 27.48 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.371 -0.974 . . . . 73.33 108.371 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD11 HE21 ' A' ' 40' ' ' GLN . 22.7 tp -99.86 172.12 7.44 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.132 0.973 . . . . 74.14 110.145 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -37.28 124.85 0.99 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.259 1.424 . . . . 74.24 113.783 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.8 -70.82 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.258 -1.016 . . . . 72.31 108.258 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.456 ' HD2' HG23 ' C' ' 756' ' ' THR . 6.5 ptm180 . . . . . 0 CA--C 1.554 1.114 0 CA-C-O 118.512 -0.756 . . . . 74.53 110.156 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 N-CA-C 111.395 -0.682 . . . . 74.43 111.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.609 ' HE2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -154.38 -179.77 8.25 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.328 0.585 . . . . 75.33 111.509 -174.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.12 123.48 20.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.076 -1.453 . . . . 74.41 107.076 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.5 pt -120.95 175.92 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.105 0.562 . . . . 74.04 111.72 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.0 m-85 -120.9 113.01 19.5 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.211 -0.904 . . . . 75.41 108.631 177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 15' ' ' LEU . 63.7 t -107.62 112.85 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.666 -0.864 . . . . 73.31 108.666 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.4 t0 -80.97 96.88 7.23 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.008 -0.738 . . . . 74.41 109.008 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.6 t -98.06 143.85 28.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.929 0.891 . . . . 75.44 110.949 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.622 ' H ' HD21 ' A' ' 69' ' ' LEU . 4.9 p -109.95 135.87 47.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.093 0.557 . . . . 74.14 110.358 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.39 145.62 39.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.87 0.868 . . . . 75.05 108.983 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . 0.41 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -127.66 141.28 51.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.678 0.391 . . . . 75.53 111.264 172.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -116.02 145.1 43.26 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.367 1.067 . . . . 73.51 109.413 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 4' ' ' PHE . 28.9 m -97.02 112.54 24.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.626 0.77 . . . . 75.11 109.449 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.77 109.56 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 109.176 -0.675 . . . . 74.12 109.176 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' THR . . . . . 0.434 HG21 ' CD1' ' A' ' 4' ' ' PHE . 39.1 p -89.73 102.01 14.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.991 0.424 . . . . 73.44 110.411 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.26 171.66 7.42 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.7 -0.682 . . . . 75.41 110.091 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 25.2 mt-10 -126.77 135.35 50.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.533 0.733 . . . . 73.24 110.236 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.88 170.76 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-N 115.211 -0.904 . . . . 74.02 110.39 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -108.59 150.43 40.7 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.581 0.752 . . . . 75.12 109.711 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . 0.412 ' HB2' ' OG ' ' B' ' 157' ' ' SER . 52.1 Cg_endo -66.22 -33.35 39.95 Favored 'Trans proline' 0 C--N 1.37 1.698 0 C-N-CA 122.642 2.228 . . . . 74.21 113.006 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 62.3 p -82.91 -8.62 59.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.292 0.637 . . . . 64.34 111.898 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -74.44 158.19 34.3 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.525 -0.546 . . . . 75.4 109.525 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -93.19 171.05 9.18 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.616 0.766 . . . . 63.52 110.071 171.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.66 HG23 ' HB3' ' B' ' 150' ' ' LEU . 27.8 mm -73.99 -14.47 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-N 115.482 -0.781 . . . . 74.54 109.705 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.455 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 9.0 pt-20 -60.01 -32.24 70.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.841 0.456 . . . . 74.15 110.382 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 51.2 m-80 -66.09 -43.63 86.75 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.927 -0.397 . . . . 73.14 109.927 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.63 -48.37 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.207 0.603 . . . . 71.04 110.576 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -64.77 -36.49 84.48 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 123.29 0.368 . . . . 74.01 110.927 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -69.04 -33.11 73.07 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.468 0.48 . . . . 70.34 111.644 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.1 mmtt -77.43 -42.38 36.32 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.634 0.373 . . . . 75.24 110.922 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.521 ' HB ' HD13 ' B' ' 136' ' ' ILE . 22.9 pt -71.3 -25.53 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 117.958 0.345 . . . . 73.11 110.705 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -71.68 -46.6 58.32 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.866 0.866 . . . . 75.31 110.982 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.54 -49.82 75.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.622 0.769 . . . . 73.12 110.197 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -80.91 -62.94 1.52 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.615 -1.175 . . . . 72.25 111.296 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -98.35 -10.54 23.65 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.882 0.697 . . . . 74.24 112.882 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.8 64.95 Favored Glycine 0 N--CA 1.469 0.876 0 O-C-N 123.1 0.25 . . . . 52.15 113.165 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.521 HD13 ' HB ' ' B' ' 130' ' ' ILE . 73.6 mt -81.72 122.83 80.7 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.462 0.705 . . . . 73.42 109.553 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 32.1 Cg_exo -59.88 132.11 43.23 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.969 2.446 . . . . 72.33 112.242 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.592 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.6 Cg_endo -53.0 -41.24 72.92 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 123.411 2.741 . . . . 75.33 112.38 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.73 -39.31 65.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.485 1.114 . . . . 60.41 111.224 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' B' ' 172' ' ' THR . 6.6 mt-30 -97.76 8.25 45.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.343 -0.844 . . . . 74.42 112.957 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' B' ' 127' ' ' LYS . 0.0 OUTLIER -78.64 82.17 4.9 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.862 0.465 . . . . 74.41 110.171 178.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' B' ' 142' ' ' ARG . 0.2 OUTLIER -95.26 79.89 3.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.799 -0.815 . . . . 71.45 108.799 172.714 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.665 HD22 HG12 ' A' ' 5' ' ' VAL . 10.2 mt -89.23 113.58 24.82 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.173 -1.376 . . . . 74.25 108.748 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -100.62 112.16 24.51 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.993 -1.114 . . . . 62.25 107.993 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -110.67 106.08 15.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.062 1.345 . . . . 75.02 109.297 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.88 26.6 15.84 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 124.095 0.872 . . . . 65.24 111.459 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 -3.53 66.3 Favored Glycine 0 C--N 1.347 1.171 0 N-CA-C 114.893 0.717 . . . . 73.43 114.893 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -97.37 126.59 42.71 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.923 -0.769 . . . . 74.3 108.923 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.9 136.79 35.3 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.927 -0.768 . . . . 73.35 108.927 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.66 ' HB3' HG23 ' B' ' 123' ' ' ILE . 10.8 mp -85.75 97.61 10.25 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.772 0.796 . . . . 74.23 112.282 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.11 132.04 35.34 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.7 -1.591 . . . . 64.12 107.382 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.624 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 24.7 m-20 -61.09 -28.29 68.98 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.138 0.975 . . . . 74.55 113.196 -168.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -77.54 -8.0 87.13 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-N 115.739 -0.664 . . . . 75.1 114.359 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.422 ' O ' HG12 ' B' ' 123' ' ' ILE . 3.8 mmp_? -88.83 156.52 18.9 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 117.283 0.542 . . . . 73.51 109.597 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 7.7 p -92.02 163.4 14.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.766 0.426 . . . . 75.04 110.185 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.59 -37.87 85.82 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 109.412 -0.588 . . . . 75.23 109.412 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.412 ' OG ' ' HB2' ' B' ' 119' ' ' PRO . 70.1 m -64.52 -29.86 70.89 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.016 0.527 . . . . 62.11 112.049 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.1 -17.31 63.84 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.185 0.594 . . . . 63.41 111.137 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.424 ' HB2' HG12 ' B' ' 161' ' ' ILE . 86.9 m-85 -102.64 -9.45 20.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.57 0.748 . . . . 73.12 111.081 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.59 52.87 10.4 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.006 0.908 . . . . 73.15 108.994 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' B' ' 159' ' ' TYR . 3.4 mm -62.31 110.51 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 114.391 -1.277 . . . . 74.54 110.18 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 147.54 36.53 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.345 -1.298 . . . . 75.21 109.426 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -65.14 127.71 32.79 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 108.915 -0.772 . . . . 73.14 108.915 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 68.64 23.36 7.2 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.608 1.193 . . . . 72.45 111.674 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.3 p -59.96 140.94 56.39 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 123.479 0.487 . . . . 74.11 110.944 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -107.16 111.5 23.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.774 0.43 . . . . 73.5 110.781 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.2 mp -113.49 148.15 36.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.459 1.104 . . . . 75.53 108.731 -172.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.42 HD13 ' HB3' ' C' ' 766' ' ' GLU . 12.9 tt -100.62 115.3 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.535 0.683 . . . . 74.21 110.651 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.607 HD11 ' HG ' ' B' ' 143' ' ' LEU . 67.8 tp -98.46 130.15 45.07 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.299 1.04 . . . . 72.33 109.818 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . 0.474 HD11 ' O ' ' C' ' 767' ' ' SER . 4.1 mt -130.8 121.8 26.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.134 0.974 . . . . 72.43 108.598 170.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.419 HD21 HG12 ' B' ' 136' ' ' ILE . 7.3 mp -74.81 85.24 2.19 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.988 0.805 . . . . 63.33 109.29 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' B' ' 140' ' ' GLN . 11.6 p . . . . . 0 N--CA 1.485 1.303 0 C-N-CA 124.758 1.223 . . . . 74.01 109.202 -176.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.748 0 N-CA-C 111.535 0.198 . . . . 74.05 111.535 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -53.72 -42.74 68.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.829 1.252 . . . . 63.34 112.067 -177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.88 -54.9 27.93 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.067 0.855 . . . . 72.15 112.068 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.2 -48.23 52.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.831 0.852 . . . . 74.12 112.035 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -41.71 97.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.433 -0.803 . . . . 70.13 110.768 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -75.01 -30.89 61.25 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.44 0.462 . . . . 72.3 110.434 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -48.39 72.75 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.064 0.853 . . . . 72.04 109.954 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.46 -42.85 99.4 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.158 0.911 . . . . 70.52 110.461 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.3 -34.58 78.31 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 123.822 0.701 . . . . 71.23 109.575 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . 0.503 HD13 ' HA2' ' A' ' 47' ' ' GLY . 3.1 tm? -71.27 -41.15 70.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.32 1.048 . . . . 74.44 110.159 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.492 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 32.0 m-85 -62.92 -40.99 99.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.469 0.708 . . . . 74.41 109.433 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.426 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.5 t-105 -68.36 -45.21 73.43 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.88 -1.055 . . . . 73.15 110.407 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 756' ' ' THR . . . . . 0.456 HG23 ' HD2' ' A' ' 74' ' ' ARG . 98.6 m -63.41 -32.13 73.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.083 0.553 . . . . 74.43 110.468 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.438 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.03 -60.31 3.67 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.669 -0.696 . . . . 74.43 109.454 171.384 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' C' ' 762' ' ' LEU . 56.3 mt -62.97 -37.01 78.19 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 114.956 -1.02 . . . . 73.13 111.016 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . 0.511 ' HA ' HD13 ' C' ' 817' ' ' LEU . 52.5 mt-30 -63.56 -58.8 5.84 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.745 0.818 . . . . 74.33 110.906 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.457 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -71.71 -22.74 61.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.586 -1.188 . . . . 71.03 111.766 -170.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.669 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.7 ppp? -85.25 -37.58 19.9 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 110.166 -0.309 . . . . 63.15 110.166 172.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.669 HD22 ' SD ' ' C' ' 761' ' ' MET . 1.7 mm? -68.91 -27.75 66.06 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 123.525 0.73 . . . . 74.13 111.634 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 11.4 t -67.78 -16.82 64.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.535 0.334 . . . . 72.23 111.136 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -104.7 -53.94 2.6 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.341 0.656 . . . . 73.43 109.609 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.443 ' O ' HD11 ' C' ' 762' ' ' LEU . 3.4 mp -96.32 72.58 2.82 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.449 -0.945 . . . . 73.22 108.449 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 26.0 tt0 -78.62 76.1 5.13 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 116.449 -0.341 . . . . 70.2 110.546 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 767' ' ' SER . . . . . 0.474 ' O ' HD11 ' B' ' 170' ' ' LEU . 6.9 m 151.78 103.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 128.008 2.523 . . . . 64.1 110.011 169.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 5.4 mp -133.35 142.65 48.52 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.162 0.585 . . . . 74.13 110.236 169.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 769' ' ' SER . . . . . 0.425 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 22.9 t -58.11 144.06 41.59 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.781 -1.1 . . . . 62.44 109.316 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.426 HD11 HD12 ' C' ' 799' ' ' LEU . 5.0 tp -50.89 -36.71 39.54 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.282 0.988 . . . . 73.11 111.578 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.52 -39.25 90.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.379 0.511 . . . . 72.13 112.379 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 21.5 mtp180 -61.85 -58.53 7.59 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.648 0.379 . . . . 73.41 110.409 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.573 HD12 HD11 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -59.93 -39.86 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 115.089 -0.96 . . . . 64.31 110.618 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.43 ' HA ' HD13 ' C' ' 795' ' ' LEU . 35.4 t80 -56.98 -50.59 72.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.998 0.919 . . . . 74.35 111.303 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -67.58 -30.69 70.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.712 0.405 . . . . 63.2 111.616 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.611 ' SD ' ' HH2' ' A' ' 10' ' ' TRP . 21.3 mtm -60.73 -55.44 33.13 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.898 -0.408 . . . . 75.24 109.898 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.48 -34.45 72.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.576 0.75 . . . . 74.52 111.099 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.491 ' HA ' HG12 ' C' ' 781' ' ' VAL . 27.6 mtm180 -64.55 -44.33 91.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.142 0.577 . . . . 73.34 111.493 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.39 -50.48 67.45 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.347 0.659 . . . . 74.12 110.257 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . 0.492 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 7.1 m-85 -68.16 -35.07 77.48 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.385 -0.371 . . . . 73.41 111.574 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' C' ' 786' ' ' ALA . 6.7 p -77.54 -30.8 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.458 0.303 . . . . 75.23 111.753 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 -33.66 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 117.684 0.22 . . . . 71.23 110.978 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 25.1 p -77.4 -24.85 50.42 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 120.826 0.346 . . . . 74.42 111.483 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -114.29 174.66 15.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.529 -0.759 . . . . 73.12 112.315 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -84.57 17.7 1.69 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 123.397 2.731 . . . . 73.1 112.776 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' C' ' 781' ' ' VAL . . . -47.47 106.0 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.998 1.719 . . . . 74.0 113.964 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 36.95 38.33 0.09 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.361 2.264 . . . . 71.22 112.929 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.54 -67.36 0.25 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.123 1.369 . . . . 72.01 110.582 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -163.22 133.52 4.46 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.165 0.986 . . . . 74.01 108.455 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.54 HD12 HD12 ' C' ' 795' ' ' LEU . 31.1 pt -80.17 175.86 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.444 0.698 . . . . 75.24 109.55 167.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.65 172.67 14.68 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.992 -0.744 . . . . 74.54 108.992 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.43 -45.99 87.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.85 0.86 . . . . 74.42 111.363 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -63.99 -34.59 78.33 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.177 0.298 . . . . 73.01 110.797 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -70.4 -47.0 62.87 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.197 0.999 . . . . 73.24 110.561 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.54 HD12 HD12 ' C' ' 790' ' ' ILE . 7.6 tt -76.77 -51.2 11.83 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 124.363 1.065 . . . . 72.04 110.165 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.46 -44.69 89.35 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.825 0.85 . . . . 75.25 110.615 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.5 -34.63 86.45 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.952 0.782 . . . . 61.41 113.599 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 8.2 t80 -64.52 -51.87 60.69 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.088 0.555 . . . . 71.33 109.604 175.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.573 HD11 HD12 ' C' ' 773' ' ' ILE . 3.5 mt -66.61 -29.0 68.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.545 0.738 . . . . 74.41 112.227 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.39 -47.25 77.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.867 -0.79 . . . . 75.41 108.867 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' C' ' 805' ' ' ASP . 38.4 tptt -57.44 -50.43 73.03 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.824 1.327 . . . . 74.45 109.888 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -60.87 -39.76 90.43 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.169 0.803 . . . . 73.43 113.169 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 56.1 t -68.98 -44.67 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 122.926 0.49 . . . . 74.23 110.803 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -78.0 -12.02 59.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.283 0.633 . . . . 74.3 112.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . 0.4 ' HB2' ' HE3' ' C' ' 801' ' ' LYS . 21.2 t70 -94.32 -4.82 47.95 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.933 0.893 . . . . 74.43 110.863 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 64.99 14.1 9.11 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.203 1.401 . . . . 73.35 111.556 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -78.0 -22.44 49.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.028 1.331 . . . . 74.21 110.552 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.535 ' HG ' HD22 ' C' ' 817' ' ' LEU . 1.4 tt -144.24 138.7 28.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.187 -1.412 . . . . 75.22 107.187 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.93 130.32 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.039 0.536 . . . . 74.13 109.879 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -92.44 105.68 17.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.517 -1.29 . . . . 72.24 107.517 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.497 ' HB3' HG13 ' C' ' 814' ' ' VAL . 23.7 t -78.27 -146.84 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.722 0.809 . . . . 63.45 109.273 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.52 72.08 1.88 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.835 0.743 . . . . 64.52 111.486 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.18 21.42 78.04 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.86 -0.609 . . . . 60.25 112.628 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.497 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.0 p -143.17 139.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.501 0.721 . . . . 73.24 109.41 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -92.81 134.15 35.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.997 0.519 . . . . 73.31 110.761 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.64 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 5.0 ppt_? -154.19 141.31 19.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.737 0.815 . . . . 75.42 109.197 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.535 HD22 ' HG ' ' C' ' 808' ' ' LEU . 76.7 mt -71.75 143.93 87.66 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 112.08 0.4 . . . . 71.14 112.08 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 C--N 1.383 2.349 0 C-N-CA 124.557 3.505 . . . . 73.24 115.169 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.44 0 N-CA-C 110.765 -0.934 . . . . 74.1 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.562 ' HE1' HG13 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -160.45 149.61 17.21 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.991 0.9 . . . . 74.33 109.514 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.438 ' H ' ' NE2' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -101.4 148.3 25.32 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.419 -1.326 . . . . 73.25 107.419 176.415 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.39 164.23 31.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 C-N-CA 122.997 0.519 . . . . 73.34 110.018 -174.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CD1' HG22 ' B' ' 114' ' ' THR . 4.9 m-85 -123.01 102.78 8.19 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.527 -1.286 . . . . 74.13 107.527 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -90.82 96.8 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.17 -1.048 . . . . 74.15 108.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.91 101.31 1.73 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.374 -0.83 . . . . 73.13 110.248 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -88.47 101.19 13.67 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.311 -0.859 . . . . 74.33 109.077 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.55 135.83 29.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 N-CA-C 108.627 -0.879 . . . . 75.25 108.627 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.63 103.18 7.98 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 72.42 107.133 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.407 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 49.9 t-105 -111.94 108.34 17.66 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 125.31 1.444 . . . . 71.44 108.099 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -154.2 134.76 13.52 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.433 0.458 . . . . 74.11 111.813 -172.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 7.5 m -76.65 116.62 17.5 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.241 -0.89 . . . . 74.13 109.16 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.82 122.11 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.079 -0.712 . . . . 72.34 109.079 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.1 m -88.99 127.56 35.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.459 -0.571 . . . . 74.55 109.459 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.51 171.17 15.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.756 1.222 . . . . 74.22 107.96 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -115.53 158.42 22.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.615 0.721 . . . . 75.22 110.32 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.5 HG21 ' HZ3' ' A' ' 29' ' ' LYS . 8.8 p -151.01 172.96 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.009 -1.45 . . . . 72.34 108.842 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 45.3 mt-10 -125.28 150.17 66.44 Favored Pre-proline 0 N--CA 1.482 1.126 0 CA-C-N 118.457 0.571 . . . . 74.34 110.414 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 29.4 Cg_endo -63.39 -30.5 72.68 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.501 2.134 . . . . 74.44 112.603 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -84.51 -4.51 58.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.904 0.882 . . . . 73.44 112.412 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.493 ' O ' HD21 ' A' ' 56' ' ' LEU . 26.3 t70 -90.15 139.25 30.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.266 -1.383 . . . . 73.1 107.266 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 19.3 p -80.94 161.39 24.34 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.795 0.807 . . . . 74.55 112.707 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 13.7 mm -66.84 -28.9 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 113.813 -1.539 . . . . 75.41 110.016 173.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -50.23 -46.57 54.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.919 1.288 . . . . 74.11 111.407 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' ND2' ' H ' ' A' ' 22' ' ' THR . 69.9 m-20 -63.93 -44.85 91.64 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.276 -0.874 . . . . 71.2 110.391 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.03 -48.91 80.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 O-C-N 123.733 0.646 . . . . 74.23 110.442 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -51.69 -53.77 35.53 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 125.261 1.424 . . . . 74.33 111.146 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.37 65.32 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-N 114.829 -1.078 . . . . 75.14 112.92 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HZ3' HG21 ' A' ' 17' ' ' VAL . 15.3 ptpt -82.22 -34.7 28.79 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.164 0.586 . . . . 74.21 110.172 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.533 ' HB ' HD12 ' A' ' 36' ' ' ILE . 14.7 pt -75.55 -34.68 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.482 -0.562 . . . . 73.14 109.482 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.3 -34.96 79.57 Favored 'General case' 0 C--N 1.362 1.137 0 CA-C-N 116.154 -0.476 . . . . 71.32 110.534 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.67 -52.39 38.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.81 0.444 . . . . 71.52 111.074 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 44.5 mmtm -76.98 -64.09 1.21 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.722 -0.672 . . . . 73.13 111.624 -171.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.97 -18.89 38.34 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.402 0.681 . . . . 73.42 111.571 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.97 78.8 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.315 0.384 . . . . 73.54 112.279 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.533 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.8 pt -88.86 113.73 57.12 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.595 0.758 . . . . 70.44 110.007 -176.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.8 Cg_endo -81.36 134.79 9.13 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.06 2.506 . . . . 65.14 111.521 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -59.13 -42.98 45.6 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 123.621 2.881 . . . . 74.41 113.628 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.58 -33.41 75.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.526 0.731 . . . . 62.13 111.265 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -16.55 24.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.335 1.054 . . . . 74.54 110.613 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.721 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 68.4 mt-30 -140.06 98.2 3.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 71.12 109.282 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.528 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -76.8 103.05 6.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.562 0.745 . . . . 71.43 110.22 -176.392 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 67' ' ' LEU . 4.1 tt -71.86 111.9 7.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.278 1.031 . . . . 65.21 110.214 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.671 HG12 ' HG2' ' A' ' 49' ' ' GLN . 9.1 mt -110.28 133.24 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.302 -0.999 . . . . 74.55 108.302 168.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 20.3 t80 -120.63 119.66 33.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.652 1.181 . . . . 73.22 109.288 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.96 19.26 11.49 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 124.02 0.825 . . . . 62.22 112.321 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.46 29.85 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 115.251 -0.886 . . . . 74.55 113.703 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -143.17 117.98 9.92 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.959 0.904 . . . . 75.01 109.52 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.671 ' HG2' HG12 ' A' ' 44' ' ' ILE . 77.2 mt-30 -70.87 129.45 39.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.302 -0.629 . . . . 63.15 109.302 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD23 ' HB3' ' A' ' 45' ' ' PHE . 21.3 mt -87.35 117.34 26.05 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.308 -174.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.84 123.17 25.84 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.31 -0.859 . . . . 73.11 109.068 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.2 p-10 -61.68 -23.85 66.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.141 0.976 . . . . 74.33 112.037 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.28 0.96 52.08 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.878 -0.601 . . . . 75.5 114.33 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -111.43 178.8 4.21 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.807 0.804 . . . . 75.21 110.807 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.4 m -115.72 159.17 21.75 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.117 0.967 . . . . 73.42 109.586 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 21' ' ' ASP . 4.4 mm? -62.12 -41.71 98.51 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.149 0.579 . . . . 73.44 112.221 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -30.67 71.74 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.362 0.505 . . . . 75.01 112.362 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' THR . 16.4 t70 -55.79 -33.19 64.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.493 0.717 . . . . 71.43 111.259 174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.84 -12.23 29.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.401 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.34 45.86 22.08 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.41 1.084 . . . . 73.44 110.233 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 HD12 HD12 ' A' ' 56' ' ' LEU . 34.4 mt -71.27 119.68 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 73.32 109.399 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -98.06 -171.76 2.22 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.102 0.961 . . . . 75.21 109.821 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.4 147.24 36.13 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 120.829 0.347 . . . . 73.11 111.273 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 55.93 31.74 18.44 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.614 1.566 . . . . 74.22 112.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -73.59 136.15 43.93 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 123.277 0.631 . . . . 74.32 109.327 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.93 129.08 46.73 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.379 0.609 . . . . 74.54 111.312 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -126.04 164.82 20.01 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.189 1.795 . . . . 75.25 107.128 -177.014 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.17 133.98 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.172 0.511 . . . . 75.4 111.096 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.721 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mp -87.05 122.59 31.08 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.197 -0.911 . . . . 74.31 108.966 165.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 3.2 mm? -95.17 125.5 39.86 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.097 -1.446 . . . . 75.44 107.097 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.563 ' HB2' HG11 ' B' ' 108' ' ' VAL . 2.3 tt -70.01 149.12 48.05 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.835 -0.802 . . . . 75.34 108.835 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.45 ' N ' HD23 ' A' ' 71' ' ' LEU . 31.8 m -34.17 104.22 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.279 1.832 . . . . 70.02 113.495 -177.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HA ' HG23 ' C' ' 763' ' ' THR . 3.3 pp -79.58 -18.74 51.01 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 115.283 -0.871 . . . . 74.03 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' HD11 ' A' ' 73' ' ' LEU . 6.6 ptm180 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 124.812 1.245 . . . . 75.02 109.06 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.333 -0.307 . . . . 62.42 112.333 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.29 152.89 26.67 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.79 0.805 . . . . 60.23 110.264 -175.017 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.95 151.45 23.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.524 -1.217 . . . . 74.44 109.504 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -143.68 164.13 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 121.386 0.612 . . . . 74.24 110.828 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.478 ' HB3' HG23 ' A' ' 12' ' ' THR . 19.4 m-85 -124.98 104.25 8.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.9 -1.045 . . . . 75.5 108.726 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.4 m -101.62 105.68 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.214 0.915 . . . . 73.3 108.705 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 13.9 t0 -75.35 136.43 40.82 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.627 -0.879 . . . . 75.3 108.627 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.5 t -132.69 141.11 48.43 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 121.27 0.557 . . . . 74.25 110.702 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 71' ' ' LEU . 2.0 p -119.21 124.09 72.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.125 -1.398 . . . . 71.11 108.103 171.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -133.79 146.55 50.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.635 -0.876 . . . . 73.01 108.635 169.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -132.41 131.12 41.46 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.025 -1.102 . . . . 75.12 108.025 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -139.55 158.56 43.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.672 1.189 . . . . 74.14 108.938 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 42.7 m -123.42 120.83 34.11 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.672 0.789 . . . . 72.12 109.424 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 34.1 mm -99.07 110.07 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.35 -0.982 . . . . 74.43 108.35 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' THR . . . . . 0.486 HG22 ' CD1' ' A' ' 4' ' ' PHE . 28.0 p -91.0 118.17 30.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.432 -0.581 . . . . 72.11 109.432 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.46 159.73 40.69 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.177 0.591 . . . . 74.3 110.135 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.89 143.16 30.43 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.312 -0.625 . . . . 63.34 109.312 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.562 HG13 ' HE1' ' A' ' 1' ' ' MET . 7.8 p -146.52 165.45 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 115.057 -0.974 . . . . 75.43 109.636 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -113.92 152.6 45.82 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.141 0.576 . . . . 73.15 110.487 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.66 -30.32 69.95 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.654 2.236 . . . . 74.52 112.106 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -88.01 0.42 55.96 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.062 0.945 . . . . 62.42 112.157 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -78.51 154.52 30.41 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.152 -0.684 . . . . 75.22 109.152 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -99.71 151.7 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.727 -0.67 . . . . 62.24 109.7 169.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.434 HD11 HD22 ' B' ' 156' ' ' LEU . 26.2 mm -56.36 -17.09 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 C-N-CA 125.588 1.555 . . . . 70.32 112.008 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 0.7 OUTLIER -56.55 -29.3 61.82 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.724 0.81 . . . . 75.33 110.916 176.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 3.5 p30 -61.33 -45.74 93.15 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 123.549 0.53 . . . . 64.24 109.609 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.11 -48.96 77.34 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 C-N-CA 123.835 0.854 . . . . 74.13 110.24 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -63.97 -35.86 82.08 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.426 -0.352 . . . . 71.32 110.285 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.69 85.81 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.523 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 32.0 mmtp -69.81 -42.56 73.54 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.973 0.509 . . . . 74.44 111.824 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.7 pt -68.2 -30.78 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-N 118.447 0.567 . . . . 73.02 110.12 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.96 -25.17 48.03 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.673 0.789 . . . . 73.25 111.972 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.21 -41.34 25.36 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.872 0.869 . . . . 75.21 110.263 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.42 -63.31 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.648 -1.16 . . . . 74.23 111.136 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.74 -7.87 22.22 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.297 0.481 . . . . 62.55 112.297 -171.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 75.22 27.35 64.14 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-O 119.631 -0.538 . . . . 71.4 113.582 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.88 109.26 14.17 Favored Pre-proline 0 CA--C 1.557 1.23 0 C-N-CA 123.782 0.833 . . . . 75.14 110.131 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 6.8 Cg_exo -70.85 140.26 38.21 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.434 2.09 . . . . 74.1 110.475 171.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.463 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 13.8 Cg_endo -55.08 -33.32 83.22 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.719 2.946 . . . . 63.33 113.437 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.41 -25.56 66.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.492 1.517 . . . . 72.15 113.039 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -100.98 5.1 43.01 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.557 0.743 . . . . 73.24 111.443 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -145.18 145.37 31.32 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.327 0.492 . . . . 63.12 112.327 -173.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.55 10.96 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.231 -1.026 . . . . 71.2 108.231 170.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.402 ' HB2' HE22 ' B' ' 141' ' ' GLN . 54.4 tp -83.42 106.25 15.02 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 107.431 -1.322 . . . . 73.1 107.431 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.59 141.25 30.86 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.012 -0.736 . . . . 52.45 109.012 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.409 ' HB3' HD22 ' B' ' 150' ' ' LEU . 20.4 t80 -142.61 112.89 7.17 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.224 1.41 . . . . 74.4 107.24 177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 63.0 20.88 12.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.866 0.866 . . . . 75.42 112.791 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.13 60.29 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.876 -0.402 . . . . 73.34 114.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -132.21 135.69 46.5 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.079 -0.711 . . . . 75.44 109.079 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -76.26 150.86 36.93 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.233 0.54 . . . . 71.21 110.073 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.426 HD11 HD21 ' B' ' 167' ' ' LEU . 48.5 mt -98.45 110.32 22.93 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.42 -0.809 . . . . 75.24 110.089 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 40.6 mt-10 -65.88 128.74 37.21 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.47 -0.937 . . . . 74.44 108.47 172.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.542 ' HB2' ' HG2' ' B' ' 127' ' ' LYS . 8.8 p-10 -60.89 -32.45 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.388 0.675 . . . . 63.42 111.605 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.18 -1.49 90.37 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.561 -0.577 . . . . 63.34 114.429 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 173.31 7.67 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 117.642 0.721 . . . . 73.43 109.188 -175.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 29.2 m -105.41 155.41 19.16 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 75.04 111.2 -173.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.434 HD22 HD11 ' B' ' 123' ' ' ILE . 4.3 mm? -61.97 -45.43 93.69 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.795 0.838 . . . . 74.54 110.858 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.4 t -62.4 -32.56 73.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.264 -0.425 . . . . 71.23 112.129 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.78 -35.0 65.78 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.741 0.65 . . . . 64.13 111.761 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.446 ' HB2' HD12 ' B' ' 161' ' ' ILE . 94.1 m-85 -99.14 -10.84 21.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.11 -0.495 . . . . 73.11 110.587 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 9.2 t30 60.07 63.89 1.35 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.147 0.904 . . . . 75.22 110.423 -171.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.446 HD12 ' HB2' ' B' ' 159' ' ' TYR . 2.0 mp -68.15 119.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.334 -0.848 . . . . 74.42 108.996 167.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.04 162.5 17.56 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.917 0.865 . . . . 75.54 110.86 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -68.84 140.2 55.21 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 171.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.97 15.97 10.28 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.866 1.266 . . . . 70.31 111.976 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.8 t -50.78 132.6 26.49 Favored 'General case' 0 C--N 1.374 1.674 0 N-CA-C 112.681 0.622 . . . . 63.12 112.681 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -101.73 105.53 16.43 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.047 0.451 . . . . 51.5 109.941 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.481 ' N ' HD13 ' B' ' 167' ' ' LEU . 1.6 mp -102.93 163.17 12.37 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.432 -1.322 . . . . 73.1 107.432 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 9.1 tt -133.41 122.75 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.612 0.72 . . . . 73.01 110.618 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.42 107.33 15.0 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.783 -1.099 . . . . 74.54 109.615 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.98 159.36 14.96 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.634 -0.876 . . . . 74.51 108.634 169.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.51 176.0 3.73 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.904 0.882 . . . . 74.5 109.676 165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 CA--C 1.56 1.36 0 CA-C-O 121.801 0.81 . . . . 64.11 110.927 173.077 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 120.901 0.381 . . . . 73.42 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.46 -39.45 94.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.618 -0.719 . . . . 71.33 110.099 174.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -47.57 -58.07 4.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.543 1.137 . . . . 74.12 111.814 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 5.7 ptpp? -70.09 -41.42 74.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.452 -0.794 . . . . 75.42 113.133 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.3 -50.58 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.725 0.41 . . . . 73.02 110.576 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.71 -25.77 64.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.477 -0.783 . . . . 73.11 111.197 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -54.54 44.36 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.683 -0.858 . . . . 74.35 108.683 172.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 76.0 mt -60.87 -39.49 89.4 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.467 1.105 . . . . 73.21 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.83 -35.87 81.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.821 0.849 . . . . 75.41 109.708 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.71 -38.46 67.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.471 0.708 . . . . 63.21 110.775 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.4 ' HE2' HD13 ' C' ' 787' ' ' LEU . 28.4 m-85 -65.4 -34.89 79.37 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.248 0.547 . . . . 73.21 109.579 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -71.78 -33.31 68.49 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 115.121 -0.945 . . . . 75.54 110.403 172.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 85.6 m -64.65 -32.94 74.83 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.764 0.711 . . . . 64.12 109.309 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.86 -65.86 0.62 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 74.14 110.679 170.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 51.1 mt -63.67 -26.72 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.355 0.662 . . . . 74.44 111.73 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . 0.559 ' HA ' HD12 ' C' ' 817' ' ' LEU . 6.5 tt0 -75.74 -53.78 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.367 -0.605 . . . . 74.44 109.367 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.27 63.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.629 -0.714 . . . . 75.2 112.021 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.63 ' HE1' HD21 ' C' ' 768' ' ' LEU . 26.1 ttt -78.71 -60.71 2.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.928 -0.767 . . . . 73.4 108.928 176.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 9.6 mp -74.54 -13.67 60.7 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.677 0.621 . . . . 75.3 112.677 -173.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 763' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 73' ' ' LEU . 5.3 t -64.01 -16.81 62.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.094 0.473 . . . . 70.32 111.401 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . 0.446 ' ND2' HG21 ' C' ' 763' ' ' THR . 46.6 m-80 -128.65 -38.16 1.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.887 0.875 . . . . 75.4 110.251 171.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 9.7 tp -90.12 56.66 3.5 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.454 1.102 . . . . 74.25 108.932 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.3 55.31 2.83 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.168 0.987 . . . . 63.52 111.759 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 48.2 m -175.4 91.84 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.519 1.128 . . . . 61.11 109.053 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.63 HD21 ' HE1' ' C' ' 761' ' ' MET . 1.7 pp -159.95 154.05 23.32 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 113.056 0.762 . . . . 74.23 113.056 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.5 t -74.85 159.28 32.09 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.136 0.574 . . . . 65.41 110.93 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -42.27 79.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.667 1.187 . . . . 72.21 110.038 170.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.39 -44.38 44.98 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.733 0.813 . . . . 75.54 111.93 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' C' ' 776' ' ' MET . 27.0 mtp85 -61.12 -63.78 1.18 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.147 0.904 . . . . 72.32 110.564 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.94 -23.46 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 123.831 0.707 . . . . 75.24 112.26 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.581 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 56.4 t80 -62.79 -55.18 28.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.252 -0.647 . . . . 74.31 109.252 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.16 -37.77 78.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 123.811 0.694 . . . . 74.44 111.511 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 95.7 mmm -59.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.41 -0.813 . . . . 71.22 109.839 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.602 ' HB3' HD11 ' C' ' 790' ' ' ILE . 10.1 mp -55.67 -32.52 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.815 -0.63 . . . . 75.54 112.646 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.472 ' O ' HG13 ' C' ' 781' ' ' VAL . 10.7 mmm180 -63.23 -52.77 60.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.162 0.585 . . . . 75.31 111.134 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.51 93.68 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.736 -0.386 . . . . 73.41 110.041 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.0 -39.87 93.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.291 0.478 . . . . 74.1 112.291 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.472 HG13 ' O ' ' C' ' 778' ' ' ARG . 3.9 p -75.51 -34.16 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.022 -0.535 . . . . 74.44 111.161 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 22.3 m -88.66 -23.77 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 113.121 0.786 . . . . 74.3 113.121 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.5 p -72.08 -21.51 61.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.253 0.549 . . . . 74.04 111.08 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -117.58 179.32 17.26 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 114.867 -1.061 . . . . 72.24 111.871 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.23 -3.18 13.5 Favored 'Trans proline' 0 C--N 1.369 1.639 0 C-N-CA 122.739 2.293 . . . . 71.03 112.174 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -41.44 101.23 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.329 1.852 . . . . 71.34 112.676 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . 0.4 HD13 ' HE2' ' C' ' 754' ' ' PHE . 30.7 mt 57.16 11.38 1.03 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.375 1.07 . . . . 70.35 113.77 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.27 -70.33 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.492 1.117 . . . . 61.41 110.266 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.72 131.43 2.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.428 1.091 . . . . 72.1 108.533 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.602 HD11 ' HB3' ' C' ' 777' ' ' LEU . 15.4 pt -79.87 154.4 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.556 0.742 . . . . 75.41 110.006 169.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.73 173.51 6.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.172 -0.922 . . . . 72.52 109.602 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.2 -40.88 48.46 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 124.326 1.051 . . . . 74.45 112.359 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -60.57 -44.06 96.6 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.341 0.656 . . . . 74.34 111.405 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.4 -56.38 14.69 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.64 0.776 . . . . 75.35 110.217 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.581 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -53.16 -61.33 2.37 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.937 1.695 . . . . 62.13 111.195 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -58.51 -47.37 84.35 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.043 1.337 . . . . 44.4 111.084 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -59.61 -33.69 78.28 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.319 0.387 . . . . 51.1 113.552 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -72.08 -52.36 17.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.897 0.879 . . . . 71.31 109.953 -176.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 55.5 mt -59.71 -39.78 85.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.12 -1.4 . . . . 72.43 111.094 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.8 OUTLIER -57.13 -52.73 64.13 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.565 1.165 . . . . 75.34 108.872 177.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.85 -49.58 72.94 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 124.506 1.129 . . . . 75.44 109.378 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.581 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -54.68 -40.64 69.32 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 112.329 0.492 . . . . 75.2 112.329 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.78 -37.54 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 123.111 0.565 . . . . 71.04 111.441 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 11.5 mmm180 -67.68 -38.24 83.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.199 0.6 . . . . 75.21 111.304 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -83.85 -1.25 54.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.265 1.426 . . . . 72.43 111.476 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 66.08 16.94 10.64 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.581 1.552 . . . . 73.14 111.464 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -81.59 -11.38 59.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.397 1.479 . . . . 75.42 110.894 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.9 OUTLIER -147.16 142.89 27.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.484 -0.932 . . . . 73.23 108.484 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.0 t -105.45 120.27 55.93 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 123.378 0.671 . . . . 72.45 109.623 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -97.18 110.58 23.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.379 1.071 . . . . 75.34 108.189 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 29.4 t -87.59 -144.96 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.569 -0.9 . . . . 73.2 108.569 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.54 75.49 1.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.648 0.658 . . . . 72.51 110.757 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.46 14.07 81.25 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 115.554 -0.748 . . . . 74.54 113.754 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.17 146.67 32.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 122.969 0.507 . . . . 72.12 109.906 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -99.31 148.86 23.72 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 123.248 0.619 . . . . 75.13 110.863 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -158.06 141.78 15.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.89 -1.504 . . . . 75.33 109.7 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' C' ' 759' ' ' GLN . 39.8 mt -82.88 131.35 54.53 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 119.421 -0.323 . . . . 73.23 110.939 173.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.375 1.951 0 C-N-CA 122.696 2.264 . . . . 72.44 111.385 172.27 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.895 -0.482 . . . . 73.33 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.571 ' HG3' HG23 ' B' ' 161' ' ' ILE . 1.4 pmm? -158.18 -169.99 2.98 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.764 0.792 . . . . 74.12 109.653 177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -138.62 158.7 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 125.189 1.395 . . . . 74.02 107.879 175.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.407 HD13 HD12 ' B' ' 115' ' ' LEU . 19.3 pt -134.56 163.83 35.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 CA-C-O 121.576 0.703 . . . . 75.34 110.81 175.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.36 103.72 9.72 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.135 -1.431 . . . . 70.51 107.135 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.7 t -91.87 95.03 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 108.085 -1.08 . . . . 73.24 108.085 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.59 97.51 0.79 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.623 0.769 . . . . 75.1 109.652 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.486 HG21 HD21 ' B' ' 169' ' ' LEU . 40.0 p -88.06 107.26 18.66 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.806 -0.813 . . . . 74.14 108.806 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.84 123.29 56.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-N 115.189 -0.914 . . . . 72.32 109.392 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 24.3 mp0 -103.35 82.92 2.11 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.121 -1.437 . . . . 72.2 107.121 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -97.99 104.17 16.18 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 106.628 -1.619 . . . . 75.45 106.628 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -160.26 133.61 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.509 0.559 . . . . 73.33 112.509 -165.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 9.6 m -76.38 109.93 10.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.665 0.786 . . . . 72.12 109.392 173.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 18.9 mm -93.59 154.36 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 108.711 -0.848 . . . . 61.33 108.711 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -117.98 129.33 55.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.327 -0.619 . . . . 74.34 109.327 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.36 169.94 16.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.231 1.012 . . . . 74.24 108.447 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 4.3 tm-20 -121.82 134.58 54.9 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.969 -0.752 . . . . 73.5 108.969 -172.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' HE3' ' B' ' 101' ' ' MET . 2.7 m -139.06 175.42 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.53 0.732 . . . . 72.41 111.94 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.775 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 72.0 mm-40 -107.42 150.86 40.58 Favored Pre-proline 0 N--CA 1.472 0.672 0 CA-C-N 115.258 -0.883 . . . . 74.54 109.606 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.26 -42.06 30.85 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 122.416 2.078 . . . . 65.03 112.031 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -87.81 2.05 52.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.053 0.541 . . . . 62.21 111.37 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.775 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 2.0 t70 -79.33 165.43 23.16 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.575 -0.898 . . . . 72.11 108.575 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -92.91 164.1 13.44 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.469 0.708 . . . . 74.23 111.209 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.66 HG22 ' HB3' ' A' ' 50' ' ' LEU . 29.7 mm -75.58 -19.81 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-N 115.09 -0.959 . . . . 74.21 110.525 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.93 -23.01 64.94 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.929 0.892 . . . . 63.43 110.854 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 57.9 t-20 -53.63 -62.49 1.62 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.312 1.445 . . . . 75.24 109.584 169.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.23 -42.12 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.884 -1.053 . . . . 74.1 110.23 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 35.5 ttpt -53.68 -52.44 60.0 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.523 1.14 . . . . 70.15 111.566 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.78 69.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.517 -0.765 . . . . 73.32 111.531 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.9 mmtp -63.95 -50.37 68.9 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.017 0.527 . . . . 72.52 111.088 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.29 -31.62 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.357 0.263 . . . . 75.43 110.381 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.46 -34.74 72.77 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.76 0.314 . . . . 74.31 111.091 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.58 -48.9 23.99 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.484 0.659 . . . . 74.33 110.866 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -84.47 -59.1 2.48 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.607 -1.179 . . . . 71.23 111.105 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.47 -28.67 31.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.284 0.634 . . . . 72.24 110.637 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.41 16.09 69.77 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.485 -0.78 . . . . 74.21 112.852 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 71.0 mt -70.67 117.17 52.98 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.05 0.54 . . . . 71.4 109.777 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.7 Cg_exo -77.76 118.79 4.59 Favored 'Trans proline' 0 CA--C 1.558 1.711 0 C-N-CA 123.244 2.63 . . . . 72.54 111.634 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.502 ' HB3' ' HG3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -56.24 -41.89 71.83 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 124.171 3.247 . . . . 73.12 114.834 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.39 -27.78 66.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.659 0.784 . . . . 71.51 112.779 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.8 pt20 -116.41 18.17 15.25 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.103 0.561 . . . . 72.14 111.713 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' NE2' HD22 ' A' ' 69' ' ' LEU . 2.1 pt20 -113.09 147.4 37.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.383 0.611 . . . . 75.33 110.335 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 16.0 mtp180 -113.19 92.06 3.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.066 -1.087 . . . . 73.11 108.066 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HG ' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -78.32 116.09 18.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.288 -1.005 . . . . 71.42 108.288 179.057 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.64 135.0 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 118.159 0.436 . . . . 74.52 110.74 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 45.1 t80 -131.54 112.06 12.3 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 125.348 1.459 . . . . 75.44 108.522 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.44 21.6 8.62 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.296 0.997 . . . . 52.2 112.468 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.2 54.59 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 114.829 0.692 . . . . 72.03 114.829 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -123.64 145.47 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.603 0.701 . . . . 73.31 110.5 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 132.9 35.19 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.963 0.905 . . . . 74.24 110.996 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.66 ' HB3' HG22 ' A' ' 23' ' ' ILE . 1.5 mm? -91.05 108.29 19.77 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.574 0.75 . . . . 73.44 109.294 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 40.7 mt-10 -85.72 135.29 33.81 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.188 -1.042 . . . . 74.02 108.188 171.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p-10 -63.81 -36.9 85.43 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.945 0.403 . . . . 75.1 111.345 -170.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 14.59 48.71 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.156 -0.475 . . . . 71.05 113.32 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tpt180 -98.7 165.07 11.97 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.612 -1.255 . . . . 74.41 107.612 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -96.96 157.61 15.82 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.527 0.603 . . . . 73.53 110.19 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.8 -37.99 80.7 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.258 -0.645 . . . . 74.01 109.258 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -67.01 -28.92 68.64 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.497 1.119 . . . . 71.35 112.66 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.85 -37.95 69.43 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.286 0.565 . . . . 71.12 110.494 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.9 m-85 -94.73 -0.01 54.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.958 -1.019 . . . . 73.21 111.076 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 t30 59.77 36.5 22.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.114 0.959 . . . . 72.43 110.404 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.561 HG13 ' HB2' ' A' ' 59' ' ' TYR . 38.5 mt -66.03 115.97 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.815 -1.084 . . . . 72.32 111.13 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.8 -170.89 1.79 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.536 1.134 . . . . 70.5 109.865 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.8 ttmt -72.59 143.91 48.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.844 0.457 . . . . 74.01 110.102 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 42.5 mt-10 60.43 26.54 16.12 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.632 1.573 . . . . 74.43 113.227 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.468 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.9 m -75.05 122.42 23.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.847 0.459 . . . . 63.42 110.632 177.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.52 127.9 40.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.502 0.721 . . . . 72.2 111.073 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -126.81 133.85 50.69 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.151 -1.425 . . . . 75.52 107.151 177.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 tt -99.82 137.9 25.86 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.521 0.677 . . . . 75.42 110.116 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD21 ' HG ' ' A' ' 43' ' ' LEU . 64.6 mt -98.92 104.23 16.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.454 -1.248 . . . . 72.14 108.299 174.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 78.7 mt -92.56 158.78 15.81 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.365 -0.976 . . . . 72.43 108.365 176.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 tp -100.47 168.91 9.44 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 109.125 -0.694 . . . . 72.21 109.125 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.87 109.48 0.2 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.419 1.088 . . . . 75.52 110.76 170.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.582 HD13 ' HB1' ' C' ' 760' ' ' ALA . 4.3 tt -82.13 -72.22 0.45 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.887 -1.153 . . . . 74.14 107.887 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 0 N-CA-C 108.164 -1.05 . . . . 72.52 108.164 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.227 -0.749 . . . . 65.23 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -156.31 158.93 38.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.358 0.663 . . . . 74.12 111.22 -175.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.708 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 16.1 mp0 -109.66 123.57 49.7 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.67 -1.233 . . . . 73.51 107.67 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.2 pt -120.48 165.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 123.112 0.565 . . . . 74.13 110.966 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 12.6 m-85 -110.24 124.94 52.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.323 -0.853 . . . . 61.43 108.847 -176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.5 108.04 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 107.888 -1.152 . . . . 70.35 107.888 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 8.5 t0 -74.54 102.39 4.5 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.487 -0.931 . . . . 63.42 108.487 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.48 ' HA ' HD12 ' A' ' 69' ' ' LEU . 62.2 p -90.46 140.79 29.4 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.632 1.173 . . . . 73.35 111.273 -172.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.412 HG11 ' OD1' ' C' ' 764' ' ' ASN . 44.8 t -116.61 109.17 27.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 124.518 1.136 . . . . 75.02 109.051 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 1.8 mp0 -115.98 139.47 50.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 169.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -135.89 132.85 37.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.96 -1.496 . . . . 75.32 106.96 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -150.86 123.04 8.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.97 0.794 . . . . 74.52 109.571 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 124.44 31.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.796 0.438 . . . . 71.11 109.886 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mm -100.26 111.24 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.617 -0.882 . . . . 74.44 108.617 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.5 m -93.54 119.99 33.27 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.594 -0.521 . . . . 72.1 109.594 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -137.96 168.57 19.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.202 0.601 . . . . 73.5 110.106 176.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 6.2 mp0 -106.15 150.26 26.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.744 0.818 . . . . 75.01 109.376 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.41 HG11 ' SD ' ' A' ' 1' ' ' MET . 7.2 p -152.51 164.07 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.936 0.772 . . . . 61.43 109.147 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -113.81 152.3 45.46 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 123.084 0.554 . . . . 74.03 110.648 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.2 -29.52 64.57 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 123.136 2.557 . . . . 75.42 112.806 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 24.7 m -78.71 -17.59 55.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.813 0.845 . . . . 74.54 112.117 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.73 156.96 28.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.657 0.383 . . . . 73.13 110.51 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 3.3 p -86.57 158.08 19.59 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.211 0.605 . . . . 72.13 110.751 173.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.603 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 27.4 mm -61.86 -25.48 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.918 -1.037 . . . . 71.12 109.48 168.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.544 ' HA ' ' HB2' ' B' ' 152' ' ' ASP . 7.9 tt0 -48.7 -33.22 9.72 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.82 1.248 . . . . 72.12 112.74 173.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -43.71 93.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 123.505 0.503 . . . . 74.22 110.446 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 24.9 t -68.24 -40.57 82.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.161 0.584 . . . . 71.24 110.233 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -55.9 -51.09 68.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.017 0.927 . . . . 73.24 110.911 172.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -32.25 71.82 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.56 -1.2 . . . . 71.52 111.373 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' B' ' 129' ' ' LYS . 0.5 OUTLIER -79.36 -36.81 38.76 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 119.054 -0.498 . . . . 72.33 111.785 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.412 ' HB ' HD12 ' B' ' 136' ' ' ILE . 29.9 pt -70.0 -31.51 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.847 0.749 . . . . 75.5 110.145 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.56 -45.84 71.02 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.012 0.525 . . . . 75.32 110.621 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.49 -49.87 75.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.908 0.883 . . . . 72.13 110.694 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 133' ' ' LYS . 10.5 mmpt? -79.5 -69.86 0.55 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.396 -1.274 . . . . 74.44 111.105 -177.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.425 ' HB2' HG13 ' B' ' 136' ' ' ILE . 12.2 mm-40 -91.56 -6.79 51.83 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 111.886 0.328 . . . . 75.54 111.886 -164.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.8 32.56 63.81 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.339 0.399 . . . . 63.11 112.655 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' B' ' 134' ' ' GLU . 80.2 mt -85.95 116.09 64.36 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.671 0.788 . . . . 74.2 109.849 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' B' ' 140' ' ' GLN . 37.9 Cg_endo -69.2 133.95 27.92 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.168 1.912 . . . . 74.14 111.66 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.0 Cg_endo -43.66 -38.34 9.15 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.809 3.672 . . . . 54.23 114.039 171.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.31 -37.71 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.972 -1.467 . . . . 72.32 111.985 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.514 ' HB2' ' HG2' ' B' ' 137' ' ' PRO . 21.1 mt-30 -106.09 -0.46 24.75 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.42 ' HB2' HD11 ' B' ' 169' ' ' LEU . 5.4 pp0? -85.39 145.13 27.62 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.748 -0.464 . . . . 72.23 109.748 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.33 70.72 1.44 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.008 -1.478 . . . . 74.34 107.008 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 101.21 5.95 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.036 -1.098 . . . . 75.22 108.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 24.9 t70 -100.23 149.74 23.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.861 0.864 . . . . 71.14 110.349 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.502 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 14.4 t80 -138.91 102.62 4.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.453 -1.314 . . . . 75.24 107.453 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.48 10.56 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.367 1.067 . . . . 73.1 113.199 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.3 17.59 36.38 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-O 119.809 -0.439 . . . . 74.03 113.958 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 3.8 ptpp? -141.26 123.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.39 -0.596 . . . . 74.42 109.39 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 0.0 OUTLIER -73.8 154.78 39.39 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.817 0.341 . . . . 72.45 110.856 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -98.71 118.86 36.39 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.777 -0.823 . . . . 73.23 108.777 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -77.8 132.09 37.89 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.42 -0.955 . . . . 73.52 108.42 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.603 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 5.5 p-10 -60.56 -29.48 69.18 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.711 0.632 . . . . 74.12 111.602 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -74.49 5.95 26.33 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.354 -0.839 . . . . 72.34 114.341 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -112.77 173.54 6.33 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 117.654 0.727 . . . . 75.43 109.71 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 9.9 m -103.81 163.27 12.45 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.255 1.022 . . . . 73.12 109.931 -173.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.56 -43.72 89.0 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.719 -0.475 . . . . 74.3 109.719 171.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.1 t -67.04 -25.72 66.41 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.983 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.94 -31.27 68.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.34 0.656 . . . . 73.32 111.607 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' B' ' 161' ' ' ILE . 89.5 m-85 -106.68 -7.27 17.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.828 0.451 . . . . 74.22 110.384 176.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 51.71 62.59 2.63 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.469 1.107 . . . . 74.23 111.104 -170.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.571 HG23 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -58.51 124.79 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.726 -0.67 . . . . 74.41 109.904 173.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -79.15 154.13 29.54 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.68 0.752 . . . . 73.41 109.849 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 16.9 ptmt -61.47 129.37 40.83 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 108.399 -0.963 . . . . 74.42 108.399 168.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 70.75 30.6 2.93 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 124.375 1.047 . . . . 74.12 110.628 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.48 ' HG ' HG22 ' B' ' 161' ' ' ILE . 28.5 m -52.12 144.96 11.25 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.746 0.418 . . . . 65.04 111.578 164.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -114.53 117.84 32.07 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.211 -0.663 . . . . 75.42 109.211 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.436 ' N ' HD13 ' B' ' 167' ' ' LEU . 0.3 OUTLIER -130.32 128.99 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.809 -1.182 . . . . 72.21 107.809 -173.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 18.9 pt -99.5 116.89 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 121.538 0.685 . . . . 72.31 109.934 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.486 HD21 HG21 ' A' ' 7' ' ' THR . 45.2 tp -82.37 99.16 9.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.261 -0.644 . . . . 75.24 109.261 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -95.41 161.91 13.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.695 1.198 . . . . 73.44 109.926 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.08 162.71 20.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.666 0.386 . . . . 73.14 111.283 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 7.7 t . . . . . 0 N--CA 1.485 1.29 0 C-N-CA 125.532 1.533 . . . . 62.21 114.394 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.748 0 CA-C-O 120.742 0.306 . . . . 74.15 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.25 -54.97 40.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.501 1.121 . . . . 75.15 112.4 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -44.72 -51.7 9.03 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.301 1.041 . . . . 74.44 112.13 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.95 -49.27 38.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.707 -1.133 . . . . 75.03 112.27 -168.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.66 -35.87 77.29 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.789 0.68 . . . . 73.04 110.646 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.43 -40.25 64.38 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 111.82 0.304 . . . . 71.32 111.82 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.81 -26.7 44.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.277 0.231 . . . . 73.52 110.839 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . 0.432 ' HG ' ' HE2' ' C' ' 798' ' ' TYR . 2.8 mp -65.99 -47.72 73.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.04 0.536 . . . . 73.33 109.786 169.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.75 -37.21 86.5 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.829 0.705 . . . . 72.41 109.519 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -44.93 83.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.46 0.704 . . . . 73.11 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.638 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 21.0 m-30 -59.27 -41.68 89.44 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.697 0.623 . . . . 72.24 110.023 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -68.29 -29.38 68.14 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.121 -0.945 . . . . 74.52 111.092 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 86.0 m -67.62 -38.03 83.35 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.261 0.482 . . . . 62.45 110.001 174.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.638 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 45.3 m-85 -62.64 -55.89 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.862 -0.422 . . . . 75.24 109.862 175.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.636 HD13 HD13 ' C' ' 777' ' ' LEU . 47.9 mt -64.16 -42.72 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.038 0.935 . . . . 72.4 111.296 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.48 -55.43 15.62 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.897 -0.779 . . . . 72.45 108.897 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.582 ' HB1' HD13 ' A' ' 73' ' ' LEU . . . -67.16 -26.48 66.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.771 0.669 . . . . 75.35 112.792 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.553 ' HB2' HD11 ' C' ' 765' ' ' LEU . 4.7 ppp? -75.06 -52.33 11.31 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.564 -0.902 . . . . 72.31 108.564 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.432 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 80.8 mt -68.82 -13.5 62.45 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.811 0.845 . . . . 74.21 113.013 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 50.5 m -53.96 -34.01 58.51 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.415 1.086 . . . . 71.04 110.544 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . 0.412 ' OD1' HG11 ' B' ' 108' ' ' VAL . 1.9 p30 -123.21 -38.12 2.62 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.254 1.422 . . . . 63.04 110.294 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' C' ' 761' ' ' MET . 53.5 mt -83.7 46.78 1.2 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.789 1.235 . . . . 74.42 110.838 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.664 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 0.1 OUTLIER -66.47 93.57 0.24 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.627 -0.715 . . . . 75.44 109.338 -178.028 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 767' ' ' SER . . . . . 0.401 ' O ' HD23 ' C' ' 768' ' ' LEU . 64.9 m 119.06 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 128.017 2.527 . . . . 63.33 111.132 169.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.551 HD12 ' HE2' ' C' ' 761' ' ' MET . 54.9 mt -128.35 143.85 51.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.02 0.528 . . . . 73.13 110.523 175.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 49.1 m -60.08 151.64 26.16 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.816 0.846 . . . . 71.05 111.85 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.33 -23.11 63.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 114.8 -1.091 . . . . 74.21 111.644 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.72 -51.55 65.24 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.061 0.545 . . . . 64.14 111.02 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' C' ' 768' ' ' LEU . 62.7 mtt180 -61.53 -56.65 17.66 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.913 0.885 . . . . 71.13 110.919 -176.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -38.44 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 115.457 -0.792 . . . . 71.2 111.327 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.565 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 64.9 t80 -63.07 -45.99 89.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.524 0.33 . . . . 75.3 110.205 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -41.19 92.45 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 123.694 0.621 . . . . 74.33 111.32 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 28.4 mtm -64.63 -52.44 57.41 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.534 0.521 . . . . 71.32 110.368 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.636 HD13 HD13 ' C' ' 758' ' ' ILE . 26.4 mt -53.79 -39.65 65.64 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.242 0.617 . . . . 74.34 111.195 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.16 -43.35 82.51 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.081 -0.963 . . . . 74.32 110.106 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -54.34 38.59 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 123.721 0.638 . . . . 73.0 110.095 171.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.19 -23.03 61.96 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.572 HG12 HG12 ' C' ' 790' ' ' ILE . 2.2 p -84.35 -33.45 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.124 0.17 . . . . 75.31 110.915 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.76 -26.14 6.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 C-N-CA 122.239 0.216 . . . . 72.42 111.462 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 14.7 p -70.01 -21.8 63.17 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 111.947 0.351 . . . . 73.25 111.947 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -122.46 179.9 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.233 -0.747 . . . . 71.41 111.233 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.95 8.02 4.29 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.822 2.348 . . . . 71.12 112.954 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -44.65 111.42 0.31 Allowed 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.121 1.768 . . . . 72.41 113.518 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 17.9 mt 60.83 9.96 2.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.294 1.038 . . . . 73.4 113.706 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 57.38 38.66 28.48 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.886 0.874 . . . . 50.13 111.094 -170.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 72.23 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.04 1.736 . . . . 74.22 111.805 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.572 HG12 HG12 ' C' ' 781' ' ' VAL . 2.7 pt -69.67 167.73 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.628 1.171 . . . . 62.42 111.438 173.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.58 166.9 17.15 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.009 -0.996 . . . . 73.44 108.468 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.36 -38.89 92.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.864 0.865 . . . . 73.31 112.138 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -36.02 82.93 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.076 0.465 . . . . 72.31 110.388 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.71 -35.68 51.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.172 -0.922 . . . . 74.44 109.813 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.565 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.76 -57.61 7.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.989 1.316 . . . . 75.24 109.374 177.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -60.93 -41.43 96.17 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.656 -1.611 . . . . 71.54 110.189 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.0 92.76 Favored Glycine 0 C--N 1.345 1.067 0 O-C-N 124.188 0.93 . . . . 73.23 113.473 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.432 ' HE2' ' HG ' ' C' ' 751' ' ' LEU . 16.9 t80 -64.09 -53.43 49.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.59 0.71 . . . . 73.22 110.117 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.431 ' O ' HG22 ' C' ' 803' ' ' VAL . 15.4 mt -64.65 -33.17 75.32 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.619 -1.173 . . . . 74.3 111.768 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . 0.509 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 10.8 tt0 -59.33 -52.85 63.88 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 124.314 1.009 . . . . 73.11 108.637 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.32 85.58 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 124.292 0.995 . . . . 54.44 110.705 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 2.5 mptp? -59.27 -43.8 92.49 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.216 0.947 . . . . 73.22 112.536 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.431 HG22 ' O ' ' C' ' 799' ' ' LEU . 72.9 t -61.1 -43.1 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 118.507 0.594 . . . . 74.55 110.382 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . 0.509 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 10.9 mpt_? -74.64 -18.13 60.59 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.3 1.04 . . . . 75.22 111.767 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.87 -6.96 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.218 1.007 . . . . 73.21 109.896 175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 66.61 14.01 9.57 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.882 1.673 . . . . 74.41 111.16 -171.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . 0.417 ' HG2' ' HZ1' ' C' ' 802' ' ' LYS . 6.1 tp-100 -80.57 -26.84 37.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.292 1.437 . . . . 73.43 111.192 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.637 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.3 OUTLIER -123.88 143.25 50.47 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.869 0.868 . . . . 74.32 110.034 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . 0.602 ' HB ' ' HG3' ' C' ' 816' ' ' ARG . 78.7 t -108.47 133.34 53.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 107.761 -1.2 . . . . 75.43 107.761 164.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -113.0 111.26 21.87 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.977 -1.12 . . . . 64.34 107.977 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -88.54 -147.53 0.16 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.181 -1.044 . . . . 75.54 108.181 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.88 77.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.974 0.806 . . . . 75.2 110.794 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.79 15.27 79.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.703 -0.68 . . . . 73.4 113.658 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 20.1 m -126.13 141.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.111 0.564 . . . . 72.51 109.722 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -96.39 143.52 27.36 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.219 0.607 . . . . 73.33 110.585 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.664 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 2.8 ptp180 -151.93 141.33 21.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.862 -1.063 . . . . 73.03 108.413 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 95.0 mt -81.08 131.0 60.71 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 108.805 -0.813 . . . . 75.33 108.805 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' C' ' 809' ' ' VAL . 8.9 Cg_endo . . . . . 0 C--N 1.377 2.063 0 C-N-CA 123.081 2.521 . . . . 71.5 112.243 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 110.921 -0.871 . . . . 64.31 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE1' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -148.86 158.6 44.29 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.331 -0.989 . . . . 75.14 108.331 178.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 14.4 mp0 -107.45 167.56 9.85 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.233 0.469 . . . . 73.13 111.592 -171.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.547 HG22 ' HB2' ' B' ' 165' ' ' SER . 21.5 pt -142.09 161.44 20.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 C-N-CA 123.899 0.88 . . . . 75.32 110.031 171.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 38.1 m-85 -119.11 110.51 17.15 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 124.344 1.058 . . . . 73.31 109.463 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.469 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 55.8 t -93.47 96.69 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.714 -0.847 . . . . 74.32 108.714 -174.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.32 96.41 3.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.89 0.876 . . . . 63.42 108.875 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.422 HG23 ' HB2' ' B' ' 111' ' ' LYS . 7.8 t -91.64 110.31 21.63 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.258 -0.645 . . . . 74.14 109.258 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.507 HG22 HD13 ' C' ' 765' ' ' LEU . 7.2 p -111.96 133.33 57.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.477 0.656 . . . . 62.31 110.377 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -101.71 93.78 5.51 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.204 -1.406 . . . . 73.13 107.204 169.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -104.2 103.87 13.7 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 106.401 -1.703 . . . . 75.05 106.401 167.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -161.03 139.04 9.52 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.657 0.598 . . . . 74.32 111.602 -167.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 4.0 m -85.4 124.57 32.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.774 0.829 . . . . 64.44 109.669 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 44.5 mm -95.19 141.82 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -111.09 121.89 46.49 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.255 -0.646 . . . . 74.54 109.255 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD21 HG21 ' B' ' 105' ' ' VAL . 1.2 pt? -137.53 166.85 22.9 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.77 0.828 . . . . 71.4 108.839 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.64 148.89 30.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.385 0.674 . . . . 64.41 109.57 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG11 ' HE3' ' B' ' 101' ' ' MET . 8.3 p -152.93 162.76 2.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.743 -1.117 . . . . 71.13 108.16 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.06 151.08 57.84 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 109.067 -0.716 . . . . 75.2 109.067 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.62 -23.52 76.01 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.603 2.202 . . . . 64.53 112.934 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -80.87 -12.23 59.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.307 0.643 . . . . 62.32 112.712 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.35 158.85 33.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.616 0.366 . . . . 70.24 110.687 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -88.41 165.07 15.19 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.455 0.702 . . . . 73.32 110.812 169.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 50' ' ' LEU . 34.1 mm -74.56 -26.55 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-N 115.4 -0.818 . . . . 73.13 110.179 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.79 -30.1 71.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.037 0.535 . . . . 71.23 110.399 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.453 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 37.7 t30 -57.46 -48.78 78.28 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 123.633 0.583 . . . . 73.03 109.621 171.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.26 -42.3 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 C-N-CA 123.933 0.893 . . . . 73.34 111.011 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -64.95 -33.87 77.07 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 120.961 0.41 . . . . 74.52 110.024 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.71 64.61 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.795 -0.639 . . . . 73.21 111.498 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 74.1 mmtt -64.93 -50.07 67.93 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.112 0.565 . . . . 75.45 109.873 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG22 HD11 ' A' ' 69' ' ' LEU . 2.6 pp -69.63 -32.12 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 122.316 0.246 . . . . 75.14 111.232 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -65.81 -42.84 90.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.853 0.359 . . . . 75.22 111.083 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.17 -46.35 56.74 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.489 -0.778 . . . . 74.43 111.256 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -90.8 -50.91 5.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.895 -1.048 . . . . 72.42 111.723 -170.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.637 ' HG2' HG23 ' B' ' 107' ' ' THR . 2.7 mp0 -85.97 -29.38 23.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.325 -0.25 . . . . 71.52 110.325 -176.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.95 30.91 21.99 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.088 0.242 . . . . 74.12 113.215 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 HD11 HD12 ' A' ' 69' ' ' LEU . 48.8 mt -92.64 120.13 67.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 123.415 0.686 . . . . 75.13 110.041 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.22 121.22 9.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.124 2.549 . . . . 70.24 111.962 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 19.4 Cg_endo -55.48 -32.52 82.72 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.953 3.102 . . . . 74.33 113.687 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.19 -44.13 96.26 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 124.217 0.948 . . . . 71.1 111.672 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.88 -14.58 58.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.346 0.658 . . . . 73.45 111.642 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -85.97 139.78 30.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.393 1.477 . . . . 73.12 110.762 -177.111 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -146.32 97.77 2.98 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.098 0.959 . . . . 75.14 108.864 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -77.62 129.19 35.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.223 1.009 . . . . 74.02 110.091 -178.468 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -128.87 136.57 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 N-CA-C 108.859 -0.793 . . . . 75.44 108.859 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 11.0 t80 -129.22 119.69 24.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.289 1.436 . . . . 72.14 108.24 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 18.62 7.71 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.273 0.983 . . . . 65.01 112.643 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' HA2' HD13 ' C' ' 753' ' ' LEU . . . 93.02 14.92 53.97 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.236 0.454 . . . . 64.01 114.236 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -125.87 130.28 51.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.765 0.826 . . . . 74.21 110.079 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -72.27 140.58 48.68 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.369 0.668 . . . . 75.31 111.484 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.495 ' HB3' HG23 ' A' ' 23' ' ' ILE . 1.8 mm? -97.82 98.01 9.47 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.241 1.016 . . . . 74.11 108.717 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -82.82 129.04 34.94 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.84 -0.8 . . . . 74.53 108.84 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -59.87 -27.46 66.7 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.982 1.313 . . . . 74.11 113.765 -165.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -2.1 81.54 Favored Glycine 0 N--CA 1.471 1.027 0 N-CA-C 114.254 0.461 . . . . 73.23 114.254 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.61 178.45 7.06 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.353 0.661 . . . . 74.11 110.565 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 19.8 m -110.54 156.94 20.2 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.873 1.269 . . . . 72.25 109.023 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 HD11 ' A' ' 23' ' ' ILE . 3.7 mm? -61.24 -40.35 93.7 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.075 0.55 . . . . 75.21 109.824 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 t -63.81 -30.92 71.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.868 0.867 . . . . 74.22 112.091 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.99 -28.08 68.76 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.261 0.625 . . . . 64.34 110.837 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -100.02 -7.42 25.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.331 0.652 . . . . 73.11 111.438 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 54.85 43.84 29.35 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.995 0.918 . . . . 73.52 110.73 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 HG13 HD12 ' A' ' 56' ' ' LEU . 5.3 mm -55.94 126.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.023 0.929 . . . . 75.03 110.953 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -94.36 178.47 5.61 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.894 0.878 . . . . 72.53 110.109 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.52 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -87.11 161.73 17.95 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 109.688 -0.486 . . . . 75.01 109.688 169.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 40.85 31.07 0.11 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.987 2.115 . . . . 74.43 113.735 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.3 m -76.86 133.3 39.36 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.225 -0.898 . . . . 53.12 110.429 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.88 110.38 22.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.567 0.699 . . . . 62.4 110.029 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.494 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.2 mp -109.69 165.02 12.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.101 1.36 . . . . 75.05 107.536 175.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.0 tt -140.55 134.24 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.479 0.657 . . . . 73.41 111.43 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.757 HD13 HG22 ' B' ' 107' ' ' THR . 45.4 mt -87.78 116.04 25.65 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.739 -1.119 . . . . 75.41 108.64 168.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.7 mt -94.33 141.71 28.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.766 -1.198 . . . . 72.55 107.766 173.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 14.8 tp -85.96 162.48 18.52 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.031 -0.729 . . . . 75.25 109.031 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -35.52 100.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.661 1.184 . . . . 72.53 113.404 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.588 HD11 ' HG3' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -74.38 -36.08 63.52 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.039 -0.982 . . . . 74.13 109.476 166.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.117 1.367 . . . . 73.2 108.898 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 110.914 -0.874 . . . . 62.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.512 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -103.77 145.0 30.73 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.848 -0.797 . . . . 73.33 108.848 173.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.1 122.73 47.48 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.303 -0.999 . . . . 74.43 108.303 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.28 160.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.186 0.595 . . . . 74.2 110.903 -170.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 45.0 m-85 -110.94 108.17 17.85 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 108.543 -0.91 . . . . 74.3 108.543 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.492 HG21 HD21 ' A' ' 15' ' ' LEU . 97.5 t -106.99 108.63 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 107.976 -1.12 . . . . 74.1 107.976 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 5.4 t0 -70.96 145.76 49.89 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.059 -0.348 . . . . 70.31 110.059 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.757 HG22 HD13 ' A' ' 69' ' ' LEU . 66.6 p -133.6 138.06 45.78 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 123.457 0.703 . . . . 74.41 110.654 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.409 HG21 ' HB2' ' C' ' 765' ' ' LEU . 6.0 p -115.4 127.18 73.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 O-C-N 124.677 1.235 . . . . 72.12 108.814 167.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -141.09 85.88 2.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.528 -0.545 . . . . 75.32 109.528 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -86.89 134.92 33.48 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.841 -0.8 . . . . 75.11 108.841 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.422 ' HB2' HG23 ' A' ' 7' ' ' THR . 99.0 mttt -141.99 153.52 44.34 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.173 1.389 . . . . 74.33 108.343 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.3 m -116.27 117.16 29.22 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.278 -0.638 . . . . 75.23 109.278 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.469 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 55.8 mt -91.39 157.99 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.369 -0.974 . . . . 71.42 108.369 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 63.9 m -137.98 125.76 22.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.631 0.772 . . . . 71.33 109.519 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.742 HD12 ' HD3' ' B' ' 129' ' ' LYS . 0.7 OUTLIER -141.71 166.77 23.82 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.248 -0.649 . . . . 74.11 109.248 173.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 29.5 tt0 -108.27 139.47 42.91 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.637 -0.875 . . . . 72.51 108.637 168.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 170.52 11.82 Favored 'Isoleucine or valine' 0 C--O 1.248 1.007 0 C-N-CA 125.483 1.513 . . . . 75.34 109.649 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -113.66 142.3 27.45 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 109.167 -0.679 . . . . 74.11 109.167 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.75 -32.02 38.32 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 123.093 2.529 . . . . 75.31 111.773 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -78.79 -16.8 56.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.264 1.026 . . . . 73.2 111.729 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 157.34 23.42 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.923 0.489 . . . . 62.13 110.653 -176.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -84.17 165.5 18.38 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.145 -0.934 . . . . 74.03 111.422 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 39.9 mm -70.51 -21.53 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.349 -0.842 . . . . 73.12 110.092 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 11.6 pt-20 -58.26 -30.89 66.93 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.848 0.459 . . . . 75.02 110.735 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -65.61 -43.67 88.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 72.22 110.866 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.5 -50.0 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.387 0.675 . . . . 72.13 110.063 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 53.3 pttt -64.81 -40.38 95.11 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 120.914 0.387 . . . . 74.32 110.887 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.13 88.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 115.556 -0.747 . . . . 73.0 110.639 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.742 ' HD3' HD12 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -71.9 -40.98 68.48 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 123.442 0.463 . . . . 73.55 111.413 -177.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.432 ' HB ' HD11 ' B' ' 136' ' ' ILE . 27.8 pt -66.3 -39.37 84.03 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 CA-C-N 118.004 0.366 . . . . 74.03 110.068 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.87 -47.02 73.18 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.585 0.354 . . . . 71.45 111.451 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.28 -52.47 53.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.093 0.957 . . . . 72.41 111.153 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -82.16 -56.75 3.74 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.761 -1.109 . . . . 73.35 110.521 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -102.89 -4.89 24.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.84 -0.618 . . . . 74.43 111.457 -160.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.4 38.19 90.94 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.569 0.543 . . . . 45.42 113.656 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.432 HD11 ' HB ' ' B' ' 130' ' ' ILE . 67.5 mt -99.43 103.0 18.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.361 1.064 . . . . 71.21 108.915 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.403 ' HB2' ' HB3' ' B' ' 140' ' ' GLN . 5.9 Cg_exo -72.94 109.82 2.9 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.871 2.38 . . . . 74.13 111.255 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.589 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.8 Cg_endo -57.2 -40.03 85.92 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.663 2.909 . . . . 62.24 114.04 -172.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.07 -39.17 75.79 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.262 -0.881 . . . . 64.41 110.747 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.403 ' HB3' ' HB2' ' B' ' 137' ' ' PRO . 0.8 OUTLIER -77.99 -11.85 59.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.858 0.863 . . . . 75.42 110.824 178.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -110.57 171.27 7.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.997 0.519 . . . . 65.32 110.126 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.674 ' HB2' ' HB2' ' B' ' 170' ' ' LEU . 11.2 mmm180 -124.76 104.45 8.65 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.428 -1.693 . . . . 72.44 106.428 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.47 99.86 3.69 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.12 -1.437 . . . . 72.43 107.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.13 118.7 37.28 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.336 0.654 . . . . 52.22 109.38 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.493 ' HB2' HD22 ' B' ' 150' ' ' LEU . 57.2 t80 -110.94 101.99 10.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.443 0.697 . . . . 75.14 109.253 -176.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.51 29.27 8.79 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.388 0.675 . . . . 71.31 112.509 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.45 60.17 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 115.078 0.791 . . . . 72.33 115.078 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -127.02 122.18 33.72 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.138 0.969 . . . . 54.41 109.799 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -76.01 147.56 38.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.569 0.348 . . . . 70.34 110.937 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' B' ' 145' ' ' PHE . 1.0 OUTLIER -91.77 124.03 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.097 0.559 . . . . 74.44 110.047 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.633 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 3.3 mp0 -79.6 133.75 36.44 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 107.288 -1.375 . . . . 75.34 107.288 167.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -58.7 -31.0 67.84 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.779 0.832 . . . . 75.05 112.83 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.02 -1.99 90.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.821 -0.627 . . . . 64.43 114.067 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.633 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 15.9 mmt85 -82.12 176.14 9.75 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 117.15 0.475 . . . . 73.12 110.116 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.4 m -105.74 162.25 13.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.918 0.887 . . . . 72.04 109.102 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.459 ' O ' HG12 ' B' ' 161' ' ' ILE . 4.1 mm? -64.49 -49.39 71.53 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 109.387 -0.597 . . . . 74.44 109.387 172.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.8 t -60.45 -24.43 65.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.28 0.632 . . . . 74.31 112.686 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.5 -38.04 58.68 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.733 0.813 . . . . 75.51 110.976 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -97.36 -10.04 26.32 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.029 -0.987 . . . . 73.3 111.791 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.77 64.58 1.27 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 122.129 0.966 . . . . 73.11 109.355 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 156' ' ' LEU . 11.7 mm -73.55 121.64 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 114.526 -1.215 . . . . 74.53 109.813 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.16 150.79 23.72 Favored 'General case' 0 C--O 1.25 1.131 0 CA-C-O 121.581 0.705 . . . . 71.52 110.122 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -62.68 129.43 40.51 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 115.887 -0.597 . . . . 65.42 109.64 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 69.51 33.1 3.2 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.476 1.11 . . . . 73.43 110.118 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.547 ' HB2' HG22 ' A' ' 3' ' ' ILE . 69.0 m -55.1 162.6 1.31 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.098 0.407 . . . . 71.22 112.098 161.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.12 133.36 46.59 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.489 0.716 . . . . 72.41 109.305 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.79 128.51 17.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.535 0.734 . . . . 74.51 110.752 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 34.3 pt -95.23 140.08 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 115.391 -0.822 . . . . 75.43 110.429 -172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.415 HD12 HD13 ' B' ' 136' ' ' ILE . 78.3 mt -86.7 115.76 24.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.912 -1.04 . . . . 63.43 109.579 170.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . 0.674 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 84.1 mt -95.33 159.56 14.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.812 -1.181 . . . . 74.54 107.812 168.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.82 170.17 16.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.254 0.479 . . . . 72.14 110.333 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.487 1.399 0 C-N-CA 125.01 1.324 . . . . 74.54 112.72 171.813 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 111.98 0.363 . . . . 72.22 111.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.5 -63.13 1.2 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.298 1.439 . . . . 72.43 111.028 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -51.68 -39.07 57.6 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.895 1.372 . . . . 74.34 111.622 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 41.1 mtpt -68.46 -63.08 1.13 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.476 0.71 . . . . 73.2 111.035 -173.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.64 -42.7 97.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.22 -0.9 . . . . 73.21 111.17 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.52 -41.71 96.22 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.043 0.839 . . . . 74.21 110.126 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -57.79 -51.45 69.54 Favored 'General case' 0 C--N 1.368 1.413 0 O-C-N 123.59 0.556 . . . . 75.31 110.942 173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 67.9 mt -60.52 -40.78 92.7 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.739 0.649 . . . . 64.42 110.976 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.63 -36.54 78.75 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.992 -1.004 . . . . 72.41 109.346 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . 0.409 HD13 ' HA2' ' A' ' 47' ' ' GLY . 2.1 tm? -76.09 -36.78 58.79 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.122 0.969 . . . . 75.23 110.417 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.51 -43.01 99.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.122 0.969 . . . . 74.13 108.71 172.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -67.46 -33.39 75.04 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.28 -1.327 . . . . 75.14 110.958 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -64.24 -36.35 83.79 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.89 0.476 . . . . 74.45 109.817 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -61.06 -61.42 2.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.782 0.433 . . . . 73.22 111.057 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.23 -31.63 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 72.23 111.575 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -74.15 -49.71 22.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.674 0.79 . . . . 73.12 109.503 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.584 ' HB3' HD22 ' A' ' 73' ' ' LEU . . . -67.55 -27.56 67.06 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 71.24 112.639 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.607 ' HE3' ' SD ' ' C' ' 776' ' ' MET . 20.0 ptm -78.84 -59.53 2.74 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.264 -1.013 . . . . 71.22 108.264 172.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.85 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 16.4 mt -64.19 -16.3 61.66 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.096 1.147 . . . . 74.32 114.096 -172.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 763' ' ' THR . . . . . 0.539 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.1 t -68.11 -17.99 64.52 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.25 0.548 . . . . 75.15 111.848 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . 0.481 HD21 HG22 ' C' ' 763' ' ' THR . 4.2 p30 -133.51 -44.83 0.82 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.99 0.916 . . . . 64.3 109.736 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.507 HD13 HG22 ' A' ' 8' ' ' VAL . 11.4 tp -80.18 57.15 2.64 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 126.675 1.99 . . . . 75.4 108.59 175.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -85.49 48.87 1.65 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.489 1.516 . . . . 75.11 112.612 -168.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 67.6 m -167.93 83.14 0.19 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.617 1.167 . . . . 72.25 108.827 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.5 HD13 HD23 ' C' ' 765' ' ' LEU . 90.1 mt -132.05 141.49 49.23 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.641 0.608 . . . . 73.11 112.641 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.3 m -78.18 147.46 34.49 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 115.528 -0.76 . . . . 72.42 109.164 166.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.41 HD13 HD13 ' C' ' 795' ' ' LEU . 20.4 tp -60.96 -31.42 70.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.919 0.888 . . . . 71.22 111.153 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.32 -52.55 61.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.87 0.868 . . . . 74.1 110.715 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -52.11 -56.66 13.09 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.367 1.042 . . . . 75.31 111.157 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.501 HD12 HD23 ' C' ' 799' ' ' LEU . 2.3 pp -75.55 -25.35 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.044 -0.98 . . . . 71.24 111.446 -171.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.554 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 37.4 t80 -62.95 -52.22 63.86 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.297 -0.631 . . . . 74.35 109.297 170.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.35 -38.28 86.39 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 124.023 0.827 . . . . 75.41 111.328 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.607 ' SD ' ' HE3' ' C' ' 761' ' ' MET . 81.0 mtp -63.78 -56.0 18.86 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.842 0.457 . . . . 74.42 110.61 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.73 -29.47 66.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.05 0.54 . . . . 74.53 111.671 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.66 -43.51 80.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.108 0.963 . . . . 73.54 109.696 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tpt -58.3 -51.2 70.8 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.619 0.768 . . . . 65.13 110.747 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -70.61 -29.35 65.72 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.639 0.375 . . . . 74.21 111.85 -173.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.605 HG12 HG12 ' C' ' 790' ' ' ILE . 5.7 p -80.53 -32.81 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-O 119.621 -0.228 . . . . 75.11 110.527 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.32 -30.81 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 118.191 0.45 . . . . 73.34 110.676 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 22.5 p -77.26 -20.25 55.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.49 0.316 . . . . 75.42 111.796 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -124.05 97.35 0.55 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.469 -1.053 . . . . 54.43 110.469 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 8.28 0.22 Allowed 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.588 2.859 . . . . 73.22 115.378 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.7 65.03 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.938 1.295 . . . . 73.33 112.514 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.44 6.25 34.79 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 74.02 111.901 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.24 -77.24 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.069 . . . . 60.3 111.715 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.61 112.31 1.43 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.293 0.637 . . . . 75.45 109.486 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG12 ' C' ' 781' ' ' VAL . 11.8 pt -70.83 161.08 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.984 -0.448 . . . . 75.43 109.861 172.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . 0.44 ' HB3' HE21 ' C' ' 793' ' ' GLN . 15.8 t70 -126.96 171.9 10.92 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.567 0.747 . . . . 63.11 109.013 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.37 -38.46 71.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.832 0.853 . . . . 74.43 111.938 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.8 pp0? -69.36 -33.01 72.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.012 0.525 . . . . 75.14 111.71 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -77.77 -37.89 47.97 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.648 0.779 . . . . 75.11 109.922 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.554 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -71.35 -50.65 30.13 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.585 1.154 . . . . 70.54 109.394 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -58.34 -40.35 81.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.592 1.157 . . . . 72.32 110.402 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -56.44 -43.73 90.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.25 0.969 . . . . 62.03 113.07 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -62.38 -46.72 87.34 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.366 0.666 . . . . 73.02 110.598 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.501 HD23 HD12 ' C' ' 773' ' ' ILE . 3.9 mm? -65.75 -47.47 75.12 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.523 -0.762 . . . . 75.0 112.461 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.89 74.83 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.717 -0.475 . . . . 75.33 109.717 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -56.15 -61.71 2.21 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 123.879 0.737 . . . . 75.01 109.737 167.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.433 ' HD2' ' HG2' ' C' ' 807' ' ' GLN . 74.9 mmtt -55.42 -38.2 68.64 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.286 0.847 . . . . 73.34 113.286 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.61 -47.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 109.717 -0.475 . . . . 75.05 109.717 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.35 -8.92 58.99 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.927 -0.579 . . . . 74.21 112.419 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.55 -2.75 55.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.023 0.929 . . . . 73.22 111.327 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.28 13.68 9.46 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 125.583 1.553 . . . . 75.33 111.9 -175.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . 0.433 ' HG2' ' HD2' ' C' ' 802' ' ' LYS . 6.2 tp-100 -83.26 -25.91 31.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.803 1.241 . . . . 73.34 110.59 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.77 142.13 51.09 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.95 0.9 . . . . 74.12 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.64 139.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.227 1.011 . . . . 75.34 109.19 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.96 114.61 27.16 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 124.738 1.215 . . . . 75.24 108.987 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 36.3 t -91.78 -145.41 0.2 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.27 -1.011 . . . . 74.54 108.27 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.08 76.5 0.94 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.548 0.613 . . . . 73.14 110.897 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.21 14.5 81.83 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 115.482 -0.781 . . . . 71.21 113.667 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.0 146.56 31.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 122.909 0.484 . . . . 73.04 110.48 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -100.52 149.65 23.48 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 123.736 0.814 . . . . 74.4 110.82 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.565 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.0 OUTLIER -156.75 135.91 11.99 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.353 -0.84 . . . . 75.1 108.783 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.85 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 9.0 tp -73.99 118.77 72.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-O 118.879 -0.582 . . . . 72.53 110.022 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.381 2.283 0 C-N-CA 122.699 2.266 . . . . 72.05 111.01 176.644 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.132 -0.387 . . . . 73.41 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.464 ' HE2' HG13 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -118.78 153.08 35.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.433 0.693 . . . . 73.31 109.215 -175.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -110.95 126.32 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.301 -1.0 . . . . 74.54 108.301 -173.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -118.45 157.2 20.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 121.559 0.695 . . . . 74.25 110.129 -170.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.2 m-85 -105.76 118.49 36.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.598 -1.183 . . . . 75.44 108.51 177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.5 t -100.31 91.65 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.81 -1.552 . . . . 75.42 106.81 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 112' ' ' THR . 23.0 t0 -93.9 102.64 14.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.486 -1.234 . . . . 71.15 109.11 -174.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -90.26 133.84 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.856 0.36 . . . . 73.11 110.575 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -92.99 131.12 40.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 108.754 -0.832 . . . . 73.3 108.754 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.79 111.47 8.71 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.06 -1.829 . . . . 71.15 106.06 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.622 ' HE1' HG22 ' B' ' 108' ' ' VAL . 0.0 OUTLIER -81.15 104.19 11.46 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.62 -1.252 . . . . 74.15 107.62 177.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -106.8 109.02 20.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.988 0.915 . . . . 72.44 110.142 -168.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -78.13 113.79 16.4 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 109.515 -0.55 . . . . 72.13 109.515 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 41.3 mm -94.47 145.9 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 124.193 0.997 . . . . 71.42 109.747 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.1 m -108.97 128.23 54.76 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.051 -0.722 . . . . 70.31 109.051 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.649 HD13 HG13 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -147.84 147.46 29.82 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.558 0.743 . . . . 73.45 109.706 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 40.3 tt0 -92.05 147.33 23.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.952 0.406 . . . . 65.34 110.05 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' HE2' ' B' ' 101' ' ' MET . 9.2 p -150.28 170.81 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 125.543 1.537 . . . . 74.11 107.791 176.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -127.11 149.81 70.45 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.574 -0.704 . . . . 62.04 110.397 -174.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.96 -23.72 46.63 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.237 1.958 . . . . 73.11 112.924 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 m -77.28 -21.41 53.66 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.821 0.7 . . . . 73.41 112.359 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.52 158.21 15.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.761 0.255 . . . . 73.12 110.899 -172.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -78.02 162.72 26.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 63.12 111.399 176.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' A' ' 50' ' ' LEU . 32.7 mm -59.55 -26.7 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.193 0.997 . . . . 75.55 110.87 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.87 -22.23 47.09 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.234 -0.894 . . . . 65.22 112.234 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.39 -50.77 50.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.69 0.796 . . . . 74.4 110.781 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.82 -48.27 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.614 -0.884 . . . . 74.31 108.614 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.71 -54.89 16.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.703 -1.589 . . . . 74.23 111.557 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.89 74.07 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.269 -0.878 . . . . 64.52 111.675 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' HD22 ' A' ' 15' ' ' LEU . 16.6 ptpt -76.71 -39.99 50.17 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 123.351 0.407 . . . . 75.35 111.601 -176.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.555 ' HB ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -67.68 -37.87 79.39 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 109.403 -0.591 . . . . 75.3 109.403 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -63.43 -47.1 83.33 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.879 -1.055 . . . . 71.44 111.239 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.93 -51.33 33.8 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.826 0.85 . . . . 74.2 110.933 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -77.37 -36.91 53.13 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.01 -0.995 . . . . 74.22 112.567 -171.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.51 -0.98 8.61 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.836 1.05 . . . . 72.43 113.836 -173.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.09 28.69 72.66 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 121.777 -0.249 . . . . 74.12 113.165 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.555 HD12 ' HB ' ' A' ' 30' ' ' ILE . 46.2 mt -80.44 111.71 25.01 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 108.722 -0.844 . . . . 71.52 108.722 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.75 104.2 1.83 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.04 2.493 . . . . 73.41 112.676 -170.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.78 -31.47 20.37 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.611 2.207 . . . . 71.15 114.235 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.53 -24.09 67.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.069 0.548 . . . . 63.52 110.176 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.507 HE21 HD11 ' A' ' 71' ' ' LEU . 23.0 tt0 -109.33 0.02 19.31 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.2 1.0 . . . . 74.24 111.176 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.509 HE21 ' HB3' ' A' ' 69' ' ' LEU . 11.4 mm100 -118.97 106.83 12.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.113 0.965 . . . . 75.14 109.748 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HG3' ' HB2' ' A' ' 70' ' ' LEU . 13.8 ptm180 -80.07 105.46 11.36 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.269 0.557 . . . . 75.42 109.637 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.613 ' HB3' HD23 ' A' ' 67' ' ' LEU . 3.8 mp -79.99 138.06 36.97 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.139 -0.689 . . . . 71.41 109.139 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -138.26 146.93 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 108.966 -0.753 . . . . 74.35 108.966 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.81 97.95 4.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.848 1.259 . . . . 74.02 108.575 -177.12 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.06 30.99 17.26 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.526 0.73 . . . . 72.12 112.244 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.44 17.01 40.9 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 114.798 -1.092 . . . . 63.3 114.568 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -119.0 112.87 20.12 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 117.759 0.779 . . . . 74.14 109.288 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -70.68 133.87 47.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.069 0.548 . . . . 74.1 110.077 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 mt -94.26 117.36 30.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.172 0.589 . . . . 63.31 111.45 -171.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -104.55 129.3 52.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.391 1.076 . . . . 74.1 108.739 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 39.9 m-20 -56.53 -36.3 69.07 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.521 1.129 . . . . 75.44 113.772 -168.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.35 -14.69 77.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 123.57 0.544 . . . . 75.24 113.751 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' HG12 ' A' ' 23' ' ' ILE . 37.0 ttm180 -92.99 165.4 12.88 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.218 1.007 . . . . 73.32 108.393 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 10.0 m -103.77 157.69 16.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.916 0.486 . . . . 73.03 111.566 -167.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.562 HD23 HD11 ' A' ' 23' ' ' ILE . 4.0 mm? -61.49 -45.82 92.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.412 1.085 . . . . 75.5 110.582 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 t -68.04 -24.07 65.04 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.517 0.562 . . . . 75.42 112.517 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.61 -31.99 71.13 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.002 0.521 . . . . 71.4 111.016 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' HH ' ' HA ' ' A' ' 50' ' ' LEU . 95.6 m-85 -97.36 -10.74 25.0 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.765 0.426 . . . . 75.13 110.626 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 60.43 64.27 1.23 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.397 1.079 . . . . 74.03 110.133 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.9 mp -68.49 101.19 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 108.405 -0.961 . . . . 73.21 108.405 169.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.1 166.91 21.03 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.685 -1.143 . . . . 74.44 109.606 168.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -73.66 150.24 41.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.94 0.496 . . . . 63.13 110.651 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 55.0 24.07 5.64 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.069 2.148 . . . . 75.45 113.209 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 t -78.65 152.22 31.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.092 0.557 . . . . 74.33 110.246 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.7 106.91 17.56 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.573 0.701 . . . . 70.11 111.968 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 43' ' ' LEU . 3.7 tt -90.17 149.18 22.54 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.856 -1.535 . . . . 75.24 106.856 169.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.448 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.0 tt -135.8 128.3 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.092 0.557 . . . . 63.24 109.808 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HB3' HE21 ' A' ' 41' ' ' GLN . 6.1 mp -97.48 113.58 25.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.949 0.9 . . . . 72.43 108.961 176.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . 2.2 mm? -95.59 141.0 29.61 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.8 -1.555 . . . . 75.31 106.8 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.507 HD11 HE21 ' A' ' 40' ' ' GLN . 30.9 tp -73.49 167.42 21.34 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.447 0.567 . . . . 73.4 109.597 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -51.11 97.67 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.097 0.959 . . . . 74.5 110.684 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.65 -68.99 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 113.63 -1.623 . . . . 73.54 108.372 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.551 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.3 mmp_? . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.048 1.339 . . . . 75.15 108.113 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.923 -0.471 . . . . 54.54 111.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.472 ' HE2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -104.54 142.91 33.79 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.144 0.577 . . . . 65.41 109.695 178.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -114.74 122.98 48.08 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.117 -0.697 . . . . 74.41 109.117 -174.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.412 HG23 HG21 ' A' ' 61' ' ' ILE . 27.7 pt -119.21 179.02 2.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 124.537 1.135 . . . . 71.53 110.409 -169.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 39.7 m-85 -116.68 117.78 30.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.113 -0.949 . . . . 72.25 109.528 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.649 HG13 HD13 ' A' ' 15' ' ' LEU . 35.1 m -107.91 107.58 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 108.744 -0.836 . . . . 71.4 108.744 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.79 117.44 17.54 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.1 t -117.06 147.3 42.49 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.148 0.979 . . . . 75.03 109.699 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.622 HG22 ' HE1' ' A' ' 10' ' ' TRP . 21.2 t -89.1 107.12 17.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 107.593 -1.262 . . . . 74.1 107.593 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.0 140.87 35.71 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.464 -0.939 . . . . 44.45 108.464 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -125.46 143.33 51.04 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.863 0.865 . . . . 74.13 109.032 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.52 103.06 7.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.994 -1.113 . . . . 75.14 107.994 169.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 6.7 m -84.24 112.46 20.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.576 -0.527 . . . . 74.21 109.576 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 49.9 mt -90.46 154.12 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.329 -1.36 . . . . 75.33 107.329 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 61.9 m -137.08 111.28 8.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 75.34 108.316 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.46 163.75 22.66 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.06 -0.719 . . . . 74.22 109.06 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.0 tt0 -106.16 140.18 39.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.068 -1.086 . . . . 75.02 108.068 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.464 HG13 ' HE2' ' A' ' 1' ' ' MET . 11.0 p -144.51 160.98 14.74 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 123.62 0.768 . . . . 73.12 109.221 -174.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 74.9 mm-40 -103.15 141.61 22.84 Favored Pre-proline 0 N--CA 1.468 0.466 0 C-N-CA 123.217 0.607 . . . . 63.03 110.196 -176.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.93 -27.53 50.81 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.69 2.26 . . . . 75.1 111.701 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 54.9 p -81.38 -17.6 48.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.275 1.03 . . . . 65.24 112.158 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.576 ' HB2' ' HB2' ' B' ' 118' ' ' GLU . 5.2 t70 -85.06 158.68 20.38 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.804 -0.813 . . . . 73.21 108.804 -174.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -85.45 163.56 18.4 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.395 0.678 . . . . 72.34 111.973 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.626 HG21 ' HB3' ' B' ' 150' ' ' LEU . 29.1 mm -66.54 -18.36 24.01 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 C-N-CA 124.866 1.267 . . . . 73.53 110.663 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 9.8 pt-20 -56.9 -25.09 56.4 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.453 -0.794 . . . . 65.13 110.576 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 10.3 t-20 -54.99 -58.46 7.53 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.673 1.189 . . . . 71.51 109.957 170.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.49 -44.34 98.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 124.543 1.137 . . . . 75.11 111.124 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' B' ' 124' ' ' GLU . 59.4 pttt -65.27 -38.7 91.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 116.013 -0.54 . . . . 74.01 109.905 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.51 61.86 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 116.075 -0.511 . . . . 72.44 110.555 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.6 mmtt -67.42 -59.88 3.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 109.253 -0.647 . . . . 74.13 109.253 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 19.7 pt -58.73 -36.78 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 123.252 0.345 . . . . 74.25 111.476 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -68.96 -40.09 79.09 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.637 0.775 . . . . 73.33 112.063 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -70.21 -50.4 40.34 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.692 0.758 . . . . 72.22 110.619 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.424 ' HZ1' ' HB3' ' B' ' 133' ' ' LYS . 2.8 mmmp? -79.95 -50.61 10.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.781 -1.554 . . . . 75.01 111.609 -165.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.546 ' HG3' HG13 ' B' ' 136' ' ' ILE . 12.6 pt-20 -125.93 5.2 7.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 113.326 0.862 . . . . 72.42 113.326 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.65 63.84 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 114.776 0.67 . . . . 65.04 114.776 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.546 HG13 ' HG3' ' B' ' 134' ' ' GLU . 58.8 mt -78.84 112.05 24.32 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.423 -0.954 . . . . 70.44 108.423 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.436 ' HD2' HE21 ' B' ' 140' ' ' GLN . 11.6 Cg_exo -67.12 135.46 37.4 Favored 'Trans proline' 0 CA--C 1.564 1.998 0 C-N-CA 122.571 2.181 . . . . 74.24 111.194 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.9 -51.54 2.88 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 124.055 3.17 . . . . 70.24 115.069 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.11 -27.93 66.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.301 0.64 . . . . 74.22 110.008 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.436 HE21 ' HD2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -85.46 12.82 7.67 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.96 1.304 . . . . 70.25 110.635 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.445 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -138.63 146.69 42.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.218 -0.66 . . . . 75.14 109.218 167.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -119.59 106.17 11.92 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.669 -0.863 . . . . 73.41 108.669 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.445 ' HB2' HE22 ' B' ' 141' ' ' GLN . 57.5 tp -82.66 130.67 35.16 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.373 0.669 . . . . 74.24 109.784 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . 0.554 ' HB3' HG21 ' B' ' 168' ' ' ILE . 10.7 t70 -118.99 145.0 46.19 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.782 1.233 . . . . 74.11 108.751 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.473 ' HB2' HD22 ' B' ' 150' ' ' LEU . 25.0 t80 -139.17 102.36 4.49 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.389 -0.967 . . . . 53.32 108.389 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.77 24.49 4.43 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.333 1.053 . . . . 72.34 113.062 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.39 32.26 7.47 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 120.04 -0.311 . . . . 63.23 113.805 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -122.32 131.4 53.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.675 0.79 . . . . 75.31 109.132 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.12 112.19 18.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.306 -1.368 . . . . 74.33 107.306 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.626 ' HB3' HG21 ' B' ' 123' ' ' ILE . 3.0 mm? -73.08 89.47 1.48 Allowed 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.199 -0.667 . . . . 74.43 109.199 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.35 119.7 9.58 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.962 -1.017 . . . . 74.44 108.547 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.559 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.4 p-10 -63.6 -20.76 65.92 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.86 0.864 . . . . 74.31 112.512 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -87.04 -4.28 81.95 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 115.693 -0.685 . . . . 54.0 113.841 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.48 167.84 10.91 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.598 -0.89 . . . . 74.12 108.598 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 92.3 m -100.91 156.92 17.11 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.229 1.012 . . . . 74.32 109.901 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.512 HD23 HD13 ' B' ' 123' ' ' ILE . 3.6 mm? -56.9 -40.61 76.58 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.783 0.833 . . . . 74.24 109.923 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.413 ' H ' HG22 ' B' ' 155' ' ' THR . 42.8 t -60.26 -32.08 70.83 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.308 0.855 . . . . 75.41 113.308 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.78 -28.27 65.79 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.519 0.599 . . . . 75.42 111.331 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -106.43 1.32 25.52 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.777 0.831 . . . . 75.35 110.68 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 65.9 t30 48.88 51.91 15.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.967 1.307 . . . . 62.44 111.007 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.09 119.95 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 114.568 -1.196 . . . . 75.34 109.661 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.38 171.0 7.85 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-O 121.715 0.769 . . . . 64.44 110.716 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.6 139.58 58.45 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.548 -0.751 . . . . 75.02 109.653 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 63.91 23.49 13.37 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 113.649 -1.614 . . . . 74.13 112.353 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.4 m -62.47 117.12 5.76 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-N 118.527 0.603 . . . . 71.22 110.114 166.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.39 109.1 21.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.448 0.699 . . . . 63.03 109.497 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.414 HD11 ' N ' ' B' ' 167' ' ' LEU . 1.3 mp -101.93 138.95 38.22 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.399 1.08 . . . . 71.32 108.194 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' B' ' 144' ' ' ASP . 4.9 tt -95.38 111.75 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.271 0.558 . . . . 72.3 109.675 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 10.1 tt -89.86 125.03 35.19 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.657 -0.497 . . . . 73.34 109.657 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 160.09 15.36 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.935 0.894 . . . . 72.22 109.069 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.85 178.17 3.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.931 . . . . 64.33 110.816 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.487 1.388 0 C-N-CA 124.393 1.077 . . . . 74.33 112.917 172.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 119.855 -0.116 . . . . 72.12 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.84 -46.9 82.96 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.21 0.944 . . . . 75.45 110.745 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -60.34 -56.21 24.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.261 -0.881 . . . . 73.51 110.9 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.466 ' HA ' HD21 ' C' ' 787' ' ' LEU . 13.2 ptpt -66.21 -39.28 89.5 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 114.609 -1.178 . . . . 74.24 111.904 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -53.16 -50.91 63.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.493 0.717 . . . . 72.41 111.001 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.9 -43.84 82.36 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.455 0.702 . . . . 75.21 111.86 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -49.16 78.69 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.894 0.746 . . . . 63.1 110.6 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.47 -42.6 96.57 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.691 1.196 . . . . 74.15 110.989 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -71.2 -34.66 71.08 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 123.764 0.665 . . . . 73.24 109.238 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -43.36 85.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.633 0.773 . . . . 73.01 109.732 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -65.59 -33.79 76.74 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 114.971 -1.013 . . . . 74.12 110.37 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -76.3 -31.08 58.02 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.038 -0.528 . . . . 72.21 110.402 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 92.0 m -69.22 -31.72 70.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.127 -0.694 . . . . 54.34 109.127 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' C' ' 761' ' ' MET . 14.0 m-85 -63.82 -64.8 0.79 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.71 0.804 . . . . 74.12 110.427 170.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 73.9 mt -57.36 -44.69 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.636 0.774 . . . . 73.42 111.424 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.38 -51.72 58.5 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.238 0.615 . . . . 71.12 109.742 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -71.32 -26.19 62.74 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.886 0.741 . . . . 75.53 112.451 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' C' ' 757' ' ' TYR . 26.7 ptm -80.34 -35.98 34.79 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 110.212 -0.292 . . . . 63.44 110.212 172.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.4 -11.74 60.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.267 0.627 . . . . 75.13 110.892 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 93.1 m -66.26 -17.73 64.92 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.486 0.714 . . . . 70.22 110.447 170.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . 0.6 ' HB2' HD13 ' C' ' 765' ' ' LEU . 7.2 m120 -118.24 -55.42 2.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.537 1.135 . . . . 65.13 109.259 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' C' ' 764' ' ' ASN . 4.3 mp -91.65 61.96 4.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.15 1.38 . . . . 75.34 107.542 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.433 ' HG3' HH12 ' C' ' 816' ' ' ARG . 8.2 pt-20 -68.19 17.07 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.361 1.985 . . . . 75.13 116.361 -165.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 68.3 m -158.86 88.84 0.92 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.936 0.895 . . . . 73.33 109.588 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.08 147.45 52.44 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.075 0.55 . . . . 74.54 111.182 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 769' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 34.8 t -65.42 162.27 18.13 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.25 1.02 . . . . 75.02 110.814 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.98 -31.48 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.466 -0.938 . . . . 74.04 108.466 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -46.56 -54.7 8.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.741 1.216 . . . . 75.23 112.842 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' C' ' 776' ' ' MET . 3.2 mpt_? -60.77 -58.46 8.38 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.673 0.608 . . . . 74.51 109.896 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.09 -23.08 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 CA-C-N 114.292 -1.322 . . . . 75.13 111.948 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.638 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 54.9 t80 -67.34 -51.59 50.46 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 109.054 -0.721 . . . . 75.43 109.054 171.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -62.23 -34.47 76.56 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.063 0.852 . . . . 71.22 110.544 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 82.1 mmm -60.74 -61.71 2.39 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.999 0.812 . . . . 75.15 109.579 172.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.82 -34.79 65.68 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.846 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.415 ' HA ' HG11 ' C' ' 781' ' ' VAL . 14.4 tpt180 -69.28 -47.76 63.65 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.185 0.928 . . . . 62.14 108.836 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -53.8 17.36 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.051 0.844 . . . . 74.42 110.24 171.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -72.35 -26.22 61.84 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.509 0.559 . . . . 64.2 112.509 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' C' ' 778' ' ' ARG . 2.5 p -85.66 -25.61 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 117.782 0.264 . . . . 74.01 111.024 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 19.7 m -90.61 -24.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 N-CA-C 112.123 0.416 . . . . 74.33 112.123 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.9 p -68.3 -19.35 64.68 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 120.763 0.316 . . . . 62.51 111.774 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.83 173.44 18.29 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.405 -0.816 . . . . 52.11 111.284 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.32 5.81 6.02 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 122.676 2.251 . . . . 74.03 111.545 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -43.0 114.2 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.551 1.94 . . . . 75.03 112.168 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' C' ' 747' ' ' LYS . 68.7 mt 66.38 9.23 6.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.669 1.187 . . . . 72.51 113.164 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.81 32.47 19.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.191 0.996 . . . . 51.12 111.165 -172.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 70.54 130.2 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.886 1.674 . . . . 75.14 111.62 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.414 HG12 HG23 ' C' ' 781' ' ' VAL . 4.3 pt -92.44 170.94 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.658 1.183 . . . . 75.34 111.373 175.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -124.14 172.8 8.75 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.44 1.096 . . . . 71.53 109.492 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.05 -37.53 69.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.941 1.297 . . . . 73.21 111.903 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.12 -43.92 98.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.26 0.624 . . . . 73.53 110.966 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -69.29 -41.54 76.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.684 0.794 . . . . 75.04 110.052 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.638 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.12 -62.5 1.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.751 -1.113 . . . . 74.45 109.845 -179.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -60.59 -30.52 69.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.67 0.788 . . . . 75.52 110.94 -177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -67.57 -37.7 89.8 Favored Glycine 0 C--N 1.356 1.652 0 O-C-N 124.0 0.812 . . . . 63.15 112.532 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.61 -47.67 80.47 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 123.593 0.757 . . . . 64.02 109.988 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.19 -40.05 94.76 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 115.253 -0.885 . . . . 73.01 110.887 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.6 OUTLIER -57.47 -53.0 63.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.224 0.952 . . . . 72.51 110.334 179.11 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -50.06 -51.12 44.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.011 0.925 . . . . 72.35 110.743 172.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 1.9 mptp? -59.83 -33.32 71.61 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.628 0.58 . . . . 75.4 112.301 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.82 -43.29 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.748 0.419 . . . . 74.34 110.1 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 8.2 mmm180 -71.54 -24.42 61.94 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.903 0.481 . . . . 74.02 111.537 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.98 -4.4 59.13 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.658 1.183 . . . . 73.34 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.5 11.71 6.81 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 125.641 1.576 . . . . 75.34 111.49 -170.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.82 -28.96 60.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.346 1.058 . . . . 73.01 110.501 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 9.3 mt -135.78 142.23 44.89 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.837 1.255 . . . . 75.25 109.6 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.9 t -105.32 129.01 58.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 125.569 1.547 . . . . 65.2 108.26 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -93.09 108.68 20.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.093 -1.077 . . . . 74.05 108.093 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.505 ' HB3' HG23 ' C' ' 814' ' ' VAL . 47.0 t -88.29 -149.52 0.17 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.896 -1.15 . . . . 72.31 107.896 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.52 77.33 0.57 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.942 0.792 . . . . 75.25 110.695 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.03 21.04 76.79 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-N 115.597 -0.729 . . . . 73.2 113.548 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.505 HG23 ' HB3' ' C' ' 811' ' ' SER . 4.6 m -131.62 159.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 123.245 0.618 . . . . 73.35 109.973 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . 0.455 ' HB3' HD22 ' C' ' 808' ' ' LEU . 67.9 m-85 -108.9 136.72 47.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.31 1.044 . . . . 74.33 110.928 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.433 HH12 ' HG3' ' C' ' 766' ' ' GLU . 17.5 ttt85 -136.88 135.82 38.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.205 1.002 . . . . 74.23 110.014 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.53 128.79 71.2 Favored Pre-proline 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 73.01 110.148 173.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--N 1.374 1.918 0 C-N-CA 122.366 2.044 . . . . 72.13 110.046 159.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 110.99 -0.844 . . . . 64.15 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.442 ' HE2' HG11 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -155.14 151.08 27.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.697 0.799 . . . . 75.43 109.653 178.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.408 HE22 ' HG2' ' B' ' 116' ' ' GLU . 7.2 mm-40 -85.93 150.71 24.31 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.088 -1.079 . . . . 73.42 108.088 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.28 158.7 43.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 CA-C-O 121.114 0.483 . . . . 74.44 110.513 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.81 105.41 11.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.924 -1.035 . . . . 74.35 108.903 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 95.0 t -88.76 95.24 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 108.397 -0.964 . . . . 75.05 108.397 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.414 ' HB3' ' CH2' ' B' ' 110' ' ' TRP . 18.1 m-20 -76.71 100.74 5.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.212 1.405 . . . . 72.12 111.698 -172.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.569 ' HG1' ' HG3' ' B' ' 111' ' ' LYS . 0.7 OUTLIER -101.12 119.56 38.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.58 1.152 . . . . 74.25 109.757 -174.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.54 136.85 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.479 0.711 . . . . 74.1 109.58 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 44.7 mt-30 -122.77 82.04 1.94 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.858 0.463 . . . . 70.04 109.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.58 ' HB2' HD13 ' C' ' 765' ' ' LEU . 20.0 t-105 -98.59 117.02 32.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 75.25 108.133 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -162.78 132.3 4.31 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.646 0.592 . . . . 74.14 111.195 -166.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 0.6 OUTLIER -75.73 137.97 40.96 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.238 -0.653 . . . . 71.41 109.238 168.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mm -114.03 120.6 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.322 -1.362 . . . . 74.1 107.322 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.3 m -87.76 122.05 30.94 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.279 0.491 . . . . 74.51 110.099 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD12 ' HZ2' ' A' ' 29' ' ' LYS . 1.3 pt? -136.51 166.47 23.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.209 1.003 . . . . 72.33 109.203 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 2.7 mp0 -103.78 151.7 22.74 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.877 -0.786 . . . . 71.35 108.877 168.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' B' ' 101' ' ' MET . 12.0 p -148.99 155.99 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.67 -0.696 . . . . 75.54 110.2 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.39 144.35 28.64 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.175 0.99 . . . . 72.24 110.357 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -65.46 -34.42 43.2 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.411 2.074 . . . . 75.12 111.134 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -75.84 -10.04 59.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.329 1.051 . . . . 73.13 112.057 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 163.84 19.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.638 0.775 . . . . 75.43 110.377 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -94.4 159.94 14.88 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.383 0.611 . . . . 74.2 110.839 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 56' ' ' LEU . 26.5 mm -63.9 -27.18 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 124.81 1.244 . . . . 74.45 110.413 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.33 -21.8 66.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.372 1.069 . . . . 73.14 111.243 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -73.92 -37.74 64.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.482 -0.562 . . . . 65.41 109.482 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 61.8 t -65.89 -45.17 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.123 -0.695 . . . . 74.42 109.123 173.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -56.83 -45.37 82.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.253 1.021 . . . . 70.42 110.6 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.56 -34.89 65.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.653 0.381 . . . . 63.41 111.569 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HZ2' HD12 ' A' ' 15' ' ' LEU . 17.3 ptmt -74.97 -35.28 62.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.579 0.352 . . . . 75.02 110.92 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.42 HD11 ' OE1' ' A' ' 41' ' ' GLN . 18.4 pt -75.49 -27.24 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.207 0.458 . . . . 74.03 110.245 172.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.327 0.584 . . . . 74.51 110.377 171.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.64 -48.79 36.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.241 -0.89 . . . . 73.24 110.657 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 -60.87 1.89 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.525 -0.762 . . . . 73.15 111.507 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 60.1 mm-40 -78.66 -30.73 46.44 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.439 0.696 . . . . 75.31 110.601 -173.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.92 15.83 50.58 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.894 -0.593 . . . . 73.41 113.123 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -73.24 114.85 35.15 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.785 0.834 . . . . 74.03 111.546 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.77 139.15 33.09 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.366 2.044 . . . . 73.11 110.359 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -54.62 -30.12 64.16 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.39 2.726 . . . . 74.13 113.152 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.74 -46.61 88.86 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.825 -1.08 . . . . 75.13 110.664 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -83.85 -13.48 53.56 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.179 -0.919 . . . . 64.42 111.74 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.42 ' OE1' HD11 ' A' ' 30' ' ' ILE . 17.7 tt0 -81.65 133.7 35.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.373 1.469 . . . . 61.15 110.804 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.74 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 66.9 mtp180 -129.41 87.88 2.61 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 106.741 -1.577 . . . . 74.33 106.741 167.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.97 116.58 15.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.627 0.771 . . . . 74.23 110.279 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' HB ' HG22 ' A' ' 68' ' ' ILE . 5.0 mm -111.14 135.98 48.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 122.976 0.51 . . . . 72.23 109.655 175.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.83 103.93 7.33 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.864 -1.162 . . . . 74.43 107.864 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' C' ' 783' ' ' THR . . . 63.56 13.47 7.28 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 124.141 0.901 . . . . 71.21 112.666 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' HA2' ' HH ' ' C' ' 757' ' ' TYR . . . 94.52 20.41 29.55 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.287 -0.415 . . . . 74.51 113.846 -174.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -125.06 136.21 53.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.596 1.159 . . . . 72.34 108.095 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -89.08 127.17 35.69 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 109.856 -0.424 . . . . 73.13 109.856 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -88.95 113.1 24.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.511 -0.768 . . . . 74.54 109.229 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 129.26 39.22 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.694 -0.854 . . . . 65.21 108.694 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.31 -51.76 51.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.028 1.331 . . . . 73.41 112.619 -168.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 18.18 56.66 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-O 119.804 -0.442 . . . . 73.01 113.903 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -93.65 174.97 6.92 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.109 -1.071 . . . . 70.45 108.109 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.4 m -108.35 149.63 28.43 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.824 1.193 . . . . 73.31 110.418 -170.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 HD12 ' A' ' 61' ' ' ILE . 2.5 mm? -57.42 -42.81 83.07 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.588 0.755 . . . . 75.31 109.903 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -64.47 -30.79 71.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.224 1.01 . . . . 75.54 112.924 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.33 -36.72 73.81 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.09 0.471 . . . . 74.35 110.225 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.0 m-85 -88.66 -8.83 53.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.708 -0.678 . . . . 73.55 110.844 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 59.5 48.3 9.9 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 122.024 0.916 . . . . 61.21 109.074 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG13 ' HB2' ' A' ' 59' ' ' TYR . 21.0 mt -66.38 111.08 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 114.929 -1.032 . . . . 71.45 111.027 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.79 178.88 7.97 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.456 -1.247 . . . . 73.21 110.731 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.69 164.46 23.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.78 -1.1 . . . . 75.42 111.43 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 48.02 30.83 2.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 126.482 1.913 . . . . 72.23 113.81 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.454 ' HB2' HG22 ' B' ' 103' ' ' ILE . 51.5 m -78.07 125.73 29.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.886 -0.597 . . . . 72.22 110.018 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.44 110.34 20.75 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.06 0.457 . . . . 64.15 110.142 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD21 HG12 ' B' ' 105' ' ' VAL . 0.5 OUTLIER -99.05 164.05 12.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.921 0.888 . . . . 64.12 108.697 175.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' B' ' 106' ' ' ASP . 4.5 tt -138.72 126.96 28.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 109.632 -0.507 . . . . 74.14 109.632 175.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD13 HG23 ' B' ' 107' ' ' THR . 35.9 mt -96.68 120.0 36.19 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.41 -0.813 . . . . 73.11 108.98 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 44.1 mt -93.28 120.14 33.23 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.539 -1.652 . . . . 75.35 106.539 173.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.38 162.51 28.49 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.946 -0.761 . . . . 74.34 108.946 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -32.34 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.923 0.889 . . . . 74.13 112.519 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' C' ' 760' ' ' ALA . 11.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.343 -1.299 . . . . 74.24 110.189 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 118.698 -0.667 . . . . 65.33 110.597 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 112.056 -0.418 . . . . 73.44 112.056 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.578 ' HE3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -155.9 -171.45 3.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.925 0.89 . . . . 74.43 109.75 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -136.11 152.95 51.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.303 1.041 . . . . 74.34 108.619 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 65' ' ' SER . 21.7 pt -142.57 165.02 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.955 0.502 . . . . 75.14 111.385 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -118.15 106.13 12.53 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.242 -1.022 . . . . 74.15 108.242 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.468 HG12 HD21 ' A' ' 67' ' ' LEU . 27.3 m -97.51 115.55 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 118.774 0.715 . . . . 73.0 109.249 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 68' ' ' ILE . 25.7 t70 -71.24 129.83 39.89 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.646 -0.501 . . . . 63.51 109.646 174.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 69' ' ' LEU . 73.4 p -130.29 133.91 46.82 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.803 1.241 . . . . 75.13 108.157 -176.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 4.1 p -125.49 119.57 55.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.491 0.662 . . . . 73.43 110.814 173.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 67.5 mm-40 -112.71 106.14 14.45 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.056 -0.975 . . . . 72.24 108.405 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 6' ' ' ASP . 71.9 t-105 -82.03 147.04 29.37 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.232 -0.655 . . . . 74.03 109.232 171.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.569 ' HG3' ' HG1' ' A' ' 7' ' ' THR . 18.5 ptpt -158.87 147.99 18.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.259 -1.015 . . . . 74.25 108.259 171.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 56.6 m -118.96 123.37 44.42 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.662 -0.866 . . . . 72.23 108.662 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 32.0 mm -94.49 109.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 108.341 -0.985 . . . . 74.44 108.341 -177.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.1 m -92.42 124.98 36.86 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.83 164.18 30.91 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 121.051 0.453 . . . . 74.54 111.016 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.408 ' HG2' HE22 ' A' ' 2' ' ' GLN . 0.8 OUTLIER -97.07 143.82 27.53 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.524 -1.658 . . . . 63.44 106.524 170.289 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.442 HG11 ' HE2' ' A' ' 1' ' ' MET . 9.3 p -149.08 163.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.194 0.452 . . . . 63.24 110.721 177.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.97 147.69 35.98 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.59 0.756 . . . . 65.45 109.489 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.07 -40.97 81.59 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 123.043 2.495 . . . . 73.02 112.787 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 22.8 m -79.91 -8.45 59.32 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.025 -0.534 . . . . 74.35 112.019 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.53 151.27 47.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.393 -0.595 . . . . 55.05 109.393 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.62 166.84 15.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.214 0.531 . . . . 74.34 110.175 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.647 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 29.4 mm -72.97 -21.22 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.791 -0.641 . . . . 64.54 110.352 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.6 pt-20 -58.82 -26.32 64.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 74.53 111.873 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 60.1 m-80 -64.26 -54.98 24.73 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.479 -0.563 . . . . 72.11 109.479 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.24 -41.09 88.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 123.761 0.824 . . . . 73.22 110.453 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.595 ' HB2' HE22 ' B' ' 141' ' ' GLN . 37.3 pttt -63.8 -41.28 97.95 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 115.807 -0.633 . . . . 71.42 109.798 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.9 -28.06 63.25 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 122.836 0.454 . . . . 72.25 110.913 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 8.9 mmpt? -67.14 -52.11 45.57 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.309 0.38 . . . . 75.54 110.525 176.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.489 HD13 ' NE2' ' B' ' 141' ' ' GLN . 2.7 pp -70.89 -29.26 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 122.988 0.18 . . . . 74.1 111.37 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.57 -39.82 84.91 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.736 0.414 . . . . 74.34 110.117 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.58 -52.24 27.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.408 0.683 . . . . 64.42 110.259 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -86.26 -51.06 6.5 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.537 -0.756 . . . . 74.42 111.774 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.7 -18.81 27.1 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.662 0.385 . . . . 60.04 111.285 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.52 72.6 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.932 -0.371 . . . . 75.42 113.589 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.09 118.69 73.44 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.61 0.764 . . . . 75.31 110.117 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.414 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 38.6 Cg_exo -61.76 125.68 17.21 Favored 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.146 2.564 . . . . 71.42 111.775 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 6.8 Cg_endo -48.77 -39.23 38.67 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 124.019 3.146 . . . . 75.23 114.538 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.67 -34.1 77.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.908 0.883 . . . . 74.12 111.292 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.453 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 22.8 mt-30 -103.97 17.46 24.06 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.664 0.785 . . . . 74.42 111.423 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.595 HE22 ' HB2' ' B' ' 127' ' ' LYS . 5.4 tt0 -102.54 110.33 22.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.821 1.248 . . . . 74.34 110.213 -175.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -94.85 81.32 3.76 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.312 0.645 . . . . 75.55 109.596 169.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 100.14 6.25 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.318 -1.364 . . . . 73.43 107.318 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.92 121.92 46.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.37 -0.604 . . . . 73.13 109.37 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' B' ' 167' ' ' LEU . 65.2 t80 -109.36 104.94 14.13 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.274 1.03 . . . . 74.21 108.468 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.92 29.43 9.95 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.799 0.84 . . . . 74.24 113.166 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.74 17.81 37.17 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 114.425 0.53 . . . . 74.1 114.425 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.566 ' HE3' ' HD1' ' B' ' 159' ' ' TYR . 0.1 OUTLIER -142.71 123.31 14.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.282 0.633 . . . . 74.54 109.686 173.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.9 159.03 34.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.385 0.674 . . . . 75.11 111.935 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 43.3 mt -110.21 117.87 34.83 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.201 -0.909 . . . . 74.44 110.766 -175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.03 125.56 29.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.854 0.861 . . . . 70.51 109.292 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.647 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 7.2 p-10 -60.48 -34.0 73.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.435 0.694 . . . . 74.41 112.526 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -86.36 9.05 71.82 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.508 -0.607 . . . . 71.34 113.814 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' B' ' 159' ' ' TYR . 21.5 ttm-85 -110.47 162.55 14.57 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.012 0.906 . . . . 75.31 109.053 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 40.6 p -96.47 157.6 15.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.217 0.607 . . . . 74.31 111.482 -171.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.431 HD22 HD12 ' B' ' 123' ' ' ILE . 2.9 mm? -57.96 -38.28 75.73 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.38 1.072 . . . . 72.53 109.836 174.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.5 t -61.95 -39.67 92.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.959 0.904 . . . . 72.41 112.134 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.45 -31.28 65.77 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.068 0.855 . . . . 70.03 111.163 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.566 ' HD1' ' HE3' ' B' ' 148' ' ' LYS . 91.5 m-85 -90.17 -12.59 37.72 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.713 -0.676 . . . . 64.42 111.474 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.97 52.54 2.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.079 1.419 . . . . 74.25 109.346 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.403 ' HB ' ' HE1' ' A' ' 1' ' ' MET . 10.3 mm -68.44 114.16 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 113.536 -1.666 . . . . 75.3 110.082 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -85.08 156.2 21.18 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.529 0.68 . . . . 52.35 110.6 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.29 144.1 51.29 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 115.68 -0.691 . . . . 73.13 109.466 170.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 50.2 29.03 3.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.127 1.371 . . . . 75.35 112.824 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 78.4 p -62.51 127.07 29.59 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 110.458 -0.201 . . . . 71.33 110.458 167.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.55 128.29 37.32 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 109.381 -0.6 . . . . 75.24 109.381 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.416 ' HB3' ' CD2' ' B' ' 145' ' ' PHE . 1.3 pt? -144.63 126.35 15.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.7 0.8 . . . . 73.12 109.511 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 12.6 pt -95.25 128.98 46.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.866 0.841 . . . . 73.4 110.129 -166.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.548 HD11 ' HG3' ' B' ' 141' ' ' GLN . 34.0 tp -99.11 103.33 15.23 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.136 -0.938 . . . . 73.34 109.158 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.68 160.69 14.16 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.468 -1.242 . . . . 74.05 109.688 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.31 171.67 13.81 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.883 0.473 . . . . 74.42 110.035 171.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.453 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.7 t . . . . . 0 CA--C 1.568 1.663 0 N-CA-C 114.505 1.298 . . . . 75.22 114.505 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 119.112 -0.471 . . . . 72.11 112.065 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -52.4 -47.38 66.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.794 0.838 . . . . 75.31 111.822 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 30.9 mm-40 -55.13 -44.33 74.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.726 0.81 . . . . 75.42 110.849 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.49 -50.75 23.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.113 -1.403 . . . . 72.1 111.435 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.76 -31.53 72.8 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.763 0.664 . . . . 72.5 110.936 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.72 -33.6 68.86 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.531 0.519 . . . . 64.03 110.639 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 36.9 mm-40 -66.21 -39.82 89.9 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 109.736 -0.468 . . . . 72.11 109.736 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.54 -35.55 77.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.703 0.801 . . . . 72.55 110.826 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -72.22 -39.0 68.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.386 -0.968 . . . . 75.22 108.386 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' C' ' 756' ' ' THR . 0.6 OUTLIER -63.91 -38.69 92.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.198 0.599 . . . . 74.25 109.959 174.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.6 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 13.4 m-85 -66.77 -37.43 84.58 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.194 -0.669 . . . . 75.22 109.194 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -67.27 -33.8 76.08 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 123.867 0.729 . . . . 75.44 110.206 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 756' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' C' ' 753' ' ' LEU . 62.6 m -60.63 -43.58 97.36 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 122.924 0.49 . . . . 74.03 110.465 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.419 ' HH ' ' HA2' ' A' ' 47' ' ' GLY . 18.4 m-85 -65.65 -57.18 8.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.938 0.495 . . . . 75.03 111.442 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.453 HG13 ' O ' ' C' ' 754' ' ' PHE . 55.1 mt -61.47 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 124.343 1.027 . . . . 74.44 110.237 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.78 -41.84 92.01 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.693 0.621 . . . . 73.24 110.521 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 73' ' ' LEU . . . -74.61 -36.27 62.95 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.868 0.73 . . . . 65.31 112.163 -176.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.705 ' SD ' HD23 ' C' ' 762' ' ' LEU . 3.8 ppp? -77.96 -28.93 49.56 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.737 -0.21 . . . . 73.33 110.477 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.705 HD23 ' SD ' ' C' ' 761' ' ' MET . 3.9 mm? -79.78 -25.0 41.09 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.634 1.174 . . . . 74.11 110.429 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 1.3 m -61.94 -17.67 57.65 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.967 0.907 . . . . 75.1 111.234 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -111.02 -51.05 2.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.639 0.776 . . . . 72.34 109.149 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 10' ' ' TRP . 7.3 mp -97.71 61.86 1.62 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.225 1.01 . . . . 74.43 111.333 -176.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.97 70.22 8.84 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.729 -0.607 . . . . 74.04 110.992 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 10.3 m 173.72 92.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.244 2.217 . . . . 73.15 108.195 176.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.42 HD21 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -162.11 146.83 12.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.724 0.773 . . . . 64.24 112.689 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.3 t -72.16 157.43 37.77 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-N 114.931 -1.031 . . . . 72.5 110.401 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.585 HD13 HD11 ' C' ' 795' ' ' LEU . 13.9 tp -55.73 -25.86 42.53 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.789 -1.096 . . . . 71.42 112.094 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.79 -53.84 46.63 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.842 0.857 . . . . 75.54 112.047 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -60.41 -52.19 66.3 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.536 0.734 . . . . 75.13 111.415 -174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.604 HD11 HD21 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -67.09 -39.14 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 115.021 -0.991 . . . . 74.43 110.695 -177.102 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.525 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 22.0 t80 -56.18 -49.82 72.94 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.593 -0.521 . . . . 72.1 109.593 173.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . 0.402 HD21 ' HD1' ' C' ' 774' ' ' TYR . 0.9 OUTLIER -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 124.254 0.971 . . . . 70.13 111.404 -176.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.665 ' SD ' ' HE2' ' C' ' 761' ' ' MET . 80.1 mtp -63.62 -58.2 7.68 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.347 0.404 . . . . 72.15 110.835 172.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.3 -34.93 71.1 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.845 0.458 . . . . 74.32 110.736 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -69.81 -37.86 76.4 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 124.581 1.152 . . . . 73.22 110.472 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.44 -57.41 13.04 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.042 0.937 . . . . 75.23 110.573 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . 0.6 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 57.9 m-85 -65.46 -27.93 68.85 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 111.49 0.182 . . . . 74.21 111.49 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' C' ' 786' ' ' ALA . 1.6 t -69.3 -44.61 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.331 0.652 . . . . 73.52 111.375 172.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.79 -20.64 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 120.703 0.287 . . . . 74.54 111.225 -168.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 783' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 18.8 p -75.6 -20.09 58.81 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.572 0.582 . . . . 73.34 112.572 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -144.73 -163.14 9.88 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-O 119.93 -0.372 . . . . 73.3 113.071 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -84.51 4.45 6.88 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 122.91 2.407 . . . . 73.54 113.159 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' C' ' 781' ' ' VAL . . . -49.63 106.07 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.94 1.296 . . . . 74.21 112.148 -174.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 84.2 mt 68.97 -0.52 2.39 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.346 1.458 . . . . 74.23 113.776 174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 53.7 43.69 30.72 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.605 0.762 . . . . 75.33 111.747 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . 0.411 ' HA ' ' CG1' ' C' ' 781' ' ' VAL . 1.3 mp0 75.3 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.102 1.761 . . . . 70.13 113.364 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.57 HG12 HG21 ' C' ' 781' ' ' VAL . 16.7 pt -108.42 155.27 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.635 1.174 . . . . 72.33 109.527 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' C' ' 795' ' ' LEU . 9.8 p-10 -124.87 -171.38 2.34 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.981 0.912 . . . . 63.31 109.709 -169.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.97 -47.76 21.8 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.319 1.012 . . . . 73.44 111.46 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.61 -59.5 5.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.284 0.99 . . . . 74.31 111.795 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.91 -36.32 83.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.086 0.554 . . . . 75.05 112.062 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.585 HD11 HD13 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -64.72 -50.45 66.87 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.684 0.794 . . . . 74.32 109.732 177.438 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.99 -41.77 83.73 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 114.613 -1.176 . . . . 62.03 111.111 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.29 96.28 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 124.311 1.007 . . . . 74.21 112.713 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.52 -54.39 47.54 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.541 0.736 . . . . 72.24 109.982 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.604 HD21 HD11 ' C' ' 773' ' ' ILE . 4.5 mm? -59.04 -45.74 89.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.484 -0.78 . . . . 75.45 111.124 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.22 -43.64 74.67 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.852 1.261 . . . . 73.35 110.078 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -54.46 30.97 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.101 0.876 . . . . 75.51 109.518 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -55.01 -37.62 66.85 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.933 0.716 . . . . 65.2 112.933 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.88 -48.49 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.018 0.527 . . . . 72.03 109.925 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -74.51 -14.61 60.84 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.896 0.702 . . . . 72.44 112.896 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.47 1.1 55.48 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.468 1.107 . . . . 75.12 111.239 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 59.37 34.54 22.83 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.115 1.366 . . . . 74.22 110.689 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -118.25 0.25 11.68 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.151 1.38 . . . . 74.31 110.21 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.33 36.59 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.502 -1.296 . . . . 64.1 107.502 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 46.1 t -105.8 117.43 51.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 N-CA-C 108.654 -0.869 . . . . 73.42 108.654 168.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.12 107.3 19.13 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.349 -1.352 . . . . 74.14 107.349 170.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.511 ' HB2' HG11 ' C' ' 814' ' ' VAL . 19.6 m -83.36 -157.04 0.22 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.087 -0.708 . . . . 72.53 109.087 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.69 77.06 0.6 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 118.72 0.691 . . . . 72.11 111.375 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.39 18.31 79.86 Favored Glycine 0 C--N 1.359 1.82 0 CA-C-N 115.708 -0.678 . . . . 72.51 113.082 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' C' ' 811' ' ' SER . 7.2 p -138.46 137.82 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 109.122 -0.696 . . . . 74.14 109.122 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -97.88 143.21 28.71 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 122.779 0.432 . . . . 75.21 110.241 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.3 147.14 15.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.258 -0.883 . . . . 73.23 109.621 177.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.553 HD11 ' HG ' ' C' ' 762' ' ' LEU . 7.0 mp -84.05 144.94 45.24 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 122.374 -0.204 . . . . 74.12 111.53 176.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 C--N 1.37 1.692 0 C-N-CA 123.361 2.708 . . . . 74.53 113.156 172.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 110.983 -0.847 . . . . 54.15 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.432 ' HE2' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -156.12 150.73 25.9 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.472 0.709 . . . . 70.21 109.265 179.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.563 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -96.43 164.19 12.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.944 -0.571 . . . . 75.33 111.057 -178.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -138.14 154.33 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 124.003 0.921 . . . . 75.42 109.262 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.85 102.52 9.77 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.284 -1.376 . . . . 74.12 107.284 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.8 t -90.76 94.18 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.492 -0.558 . . . . 75.34 109.492 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.82 96.68 5.7 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.659 -0.497 . . . . 53.45 109.659 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' B' ' 169' ' ' LEU . 14.4 t -93.32 121.1 34.36 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.883 -0.784 . . . . 73.4 108.883 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.08 132.06 38.37 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.84 -0.618 . . . . 72.32 109.5 -174.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.609 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 84.2 mm-40 -116.81 84.6 2.17 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.604 -0.726 . . . . 73.32 109.782 -173.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.518 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 29.3 t-105 -105.24 105.52 15.6 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 114.798 -1.092 . . . . 75.43 108.983 176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.609 ' HE2' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -138.63 149.38 45.15 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.102 0.961 . . . . 74.31 108.95 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.417 HG23 ' HB3' ' B' ' 104' ' ' PHE . 7.8 m -94.77 117.37 30.03 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.243 -0.651 . . . . 74.14 109.243 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 14.2 mt -96.37 165.46 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.28 1.032 . . . . 74.41 109.971 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 13' ' ' ILE . 24.7 m -121.34 130.02 53.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 123.518 0.727 . . . . 73.51 109.13 172.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 152.74 38.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.888 0.875 . . . . 65.51 109.576 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 31.6 tt0 -91.69 146.53 23.7 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.984 -0.376 . . . . 75.14 109.984 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG11 ' HE2' ' B' ' 101' ' ' MET . 11.7 p -134.95 166.38 28.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 124.089 0.956 . . . . 74.13 109.5 175.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -108.86 145.76 32.36 Favored Pre-proline 0 C--N 1.354 0.787 0 C-N-CA 122.799 0.44 . . . . 73.31 110.17 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.18 -34.76 26.99 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.04 2.493 . . . . 73.33 112.366 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -80.07 -11.46 59.76 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.631 -0.713 . . . . 63.01 111.834 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.89 161.27 21.93 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 122.806 0.442 . . . . 71.5 110.721 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -82.48 160.3 22.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.289 0.566 . . . . 74.4 110.459 170.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.699 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.2 mm -65.69 -24.72 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.913 -1.04 . . . . 74.24 110.026 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -22.31 66.0 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.992 0.517 . . . . 64.12 111.096 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m-20 -62.78 -50.59 70.42 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 171.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.79 -44.55 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.903 0.881 . . . . 74.22 110.105 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -54.21 -46.73 72.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.417 -1.265 . . . . 75.01 110.748 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.49 64.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.01 -0.996 . . . . 75.22 111.749 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 71.8 mmtt -70.92 -49.22 48.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.493 0.317 . . . . 75.31 110.619 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.2 pt -70.25 -27.54 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.441 0.297 . . . . 75.13 110.992 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.11 -39.54 90.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.333 0.653 . . . . 74.21 110.983 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.82 -42.48 70.18 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.939 0.896 . . . . 65.15 110.999 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.01 -60.15 2.03 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.003 . . . . 73.11 111.788 -171.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -85.78 -36.44 20.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.714 0.406 . . . . 65.42 110.096 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 33.67 9.03 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.11 -0.495 . . . . 70.14 112.762 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -77.67 122.71 86.16 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 108.305 -0.998 . . . . 75.04 108.305 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 27.3 Cg_endo -61.94 119.6 6.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.852 2.368 . . . . 71.35 112.233 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -52.92 -49.28 18.14 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 124.498 3.466 . . . . 73.22 113.954 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -83.2 -1.97 54.37 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.717 -0.674 . . . . 70.33 111.878 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 24.8 mt-30 -115.85 8.39 14.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.597 0.759 . . . . 65.13 111.11 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -118.46 156.11 29.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.129 0.572 . . . . 72.15 110.608 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.653 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 44.3 mtp180 -136.04 108.91 7.58 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.799 -1.185 . . . . 74.22 107.799 -174.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HB3' HD12 ' A' ' 67' ' ' LEU . 6.7 mp -85.97 119.33 26.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.156 -0.683 . . . . 74.42 109.156 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.643 HG22 ' HE1' ' C' ' 757' ' ' TYR . 78.8 mt -129.28 140.68 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.307 0.643 . . . . 73.12 110.368 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HB2' HD23 ' A' ' 50' ' ' LEU . 2.2 m-85 -110.04 -160.67 0.72 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.143 -1.428 . . . . 73.32 107.143 172.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.73 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.575 1.15 . . . . 63.51 113.203 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 60.07 32.32 75.45 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 114.922 -1.035 . . . . 74.54 113.394 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.82 133.91 55.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.706 0.253 . . . . 73.14 110.829 -174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.96 106.16 18.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.715 0.806 . . . . 75.5 110.249 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -83.35 92.17 7.48 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.629 0.771 . . . . 64.32 109.372 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.04 119.85 9.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.942 -1.026 . . . . 71.54 108.953 168.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.9 p-10 -61.75 -32.39 72.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.012 0.434 . . . . 64.12 111.061 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.23 8.42 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 119.674 -0.514 . . . . 74.23 113.693 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' HG12 ' A' ' 23' ' ' ILE . 54.6 ttt180 -123.19 171.47 9.32 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.648 -0.871 . . . . 74.25 108.648 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 m -101.44 148.78 24.78 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 119.857 1.208 . . . . 72.33 112.249 -166.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.98 -49.44 75.74 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.495 0.718 . . . . 75.13 111.033 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.787 -0.642 . . . . 73.43 112.175 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -36.01 70.98 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.221 0.951 . . . . 74.31 110.734 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.92 -16.14 32.58 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.981 -0.554 . . . . 72.1 111.039 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 t30 63.33 64.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.571 1.148 . . . . 74.23 110.96 -169.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.69 114.29 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.322 -0.992 . . . . 72.23 108.322 165.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -101.42 174.97 5.73 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.278 0.631 . . . . 70.43 110.383 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -73.27 138.88 45.76 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.181 0.593 . . . . 74.33 110.741 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.51 31.0 20.71 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.283 1.433 . . . . 75.02 112.714 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -85.36 140.25 30.92 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 109.701 -0.481 . . . . 74.2 109.701 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.82 120.57 39.96 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.037 0.446 . . . . 74.44 112.098 -171.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 43' ' ' LEU . 6.9 tt -110.15 130.6 55.51 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.284 1.434 . . . . 71.53 108.874 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.721 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 11.8 tt -94.75 139.1 19.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 123.293 0.637 . . . . 75.12 110.142 173.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.13 110.1 22.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.559 0.743 . . . . 72.21 110.355 174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 89.5 mt -96.36 116.02 28.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.555 -1.202 . . . . 71.54 108.427 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG11 ' B' ' 108' ' ' VAL . 10.5 mp -75.3 170.47 16.02 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.286 -0.635 . . . . 73.51 109.286 169.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -35.03 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.14 1.376 . . . . 73.11 113.655 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.624 HD12 ' HB1' ' C' ' 760' ' ' ALA . 9.3 tt -62.56 -54.01 46.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.504 -1.226 . . . . 75.23 109.927 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 114.526 -1.215 . . . . 75.11 107.97 -178.186 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.285 -0.326 . . . . 73.2 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.537 ' HE2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -147.54 149.89 33.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.515 0.726 . . . . 73.2 110.184 -176.309 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -92.69 152.6 19.44 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.757 -0.656 . . . . 73.24 109.984 -173.153 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.9 pt -141.0 164.62 20.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 124.089 0.956 . . . . 71.11 110.176 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -105.01 135.74 45.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.739 -1.119 . . . . 75.4 108.429 174.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 67' ' ' LEU . 16.0 m -120.79 107.46 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.777 0.799 . . . . 75.4 110.471 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.721 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 3.4 m-20 -66.37 96.33 0.35 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.654 -1.157 . . . . 73.15 109.362 173.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 55.5 p -100.99 140.83 34.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 74.1 110.351 -175.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.518 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.3 p -128.17 123.35 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.397 0.679 . . . . 71.1 109.803 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -129.31 129.59 45.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.109 1.364 . . . . 75.24 108.598 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -80.24 142.34 34.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.0 0.52 . . . . 75.42 109.786 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.401 ' HB2' HG23 ' A' ' 7' ' ' THR . 62.8 mttm -132.45 89.46 2.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.617 -0.882 . . . . 73.52 108.617 172.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.9 m -77.18 108.36 10.23 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.345 -0.843 . . . . 73.42 109.514 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 15.7 mm -92.0 104.52 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.037 -1.468 . . . . 71.25 107.037 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 95.8 m -90.28 111.8 23.13 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.597 -0.89 . . . . 74.01 108.597 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.25 162.53 25.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.73 -0.668 . . . . 72.02 109.483 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.0 tt0 -113.81 140.41 48.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.076 -1.083 . . . . 75.21 108.076 166.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.03 171.04 17.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 123.519 0.727 . . . . 70.32 109.925 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -114.77 151.97 45.91 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.272 0.629 . . . . 63.45 109.567 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.82 -37.19 28.51 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.837 2.358 . . . . 72.41 112.827 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 25.3 m -82.38 -8.12 59.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.123 -0.49 . . . . 72.33 111.187 -174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -74.65 149.79 39.85 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.572 -0.529 . . . . 73.3 109.572 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -85.5 169.09 13.93 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.005 0.815 . . . . 62.14 111.053 174.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.1 mm -72.13 -16.86 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.268 0.627 . . . . 73.11 110.47 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.418 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -62.12 -30.15 70.83 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 122.977 0.511 . . . . 75.43 110.583 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 38.3 m-80 -62.48 -48.43 79.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.748 -0.464 . . . . 74.34 109.748 172.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -44.87 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.614 0.766 . . . . 74.32 111.016 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -65.12 -37.34 87.13 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 122.372 0.269 . . . . 75.24 110.384 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.59 74.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 115.993 -0.548 . . . . 73.33 111.28 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 68.8 mmtt -71.33 -47.91 53.67 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 110.348 -0.242 . . . . 71.44 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.436 ' HB ' HD13 ' B' ' 136' ' ' ILE . 28.4 pt -67.88 -31.09 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 119.857 -0.116 . . . . 62.33 111.043 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.83 -48.2 55.28 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.63 0.372 . . . . 74.31 111.277 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.47 -49.56 76.31 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.759 0.79 . . . . 75.34 110.912 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -84.92 -55.52 4.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.406 -1.27 . . . . 74.42 110.44 -173.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -98.61 -21.1 16.63 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.618 0.229 . . . . 74.13 111.618 -167.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.91 14.05 68.09 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.778 -0.457 . . . . 54.21 113.5 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.436 HD13 ' HB ' ' B' ' 130' ' ' ILE . 69.2 mt -70.97 117.69 58.52 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 109.525 -0.546 . . . . 73.21 109.525 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.695 ' HB2' ' HG2' ' B' ' 140' ' ' GLN . 23.4 Cg_exo -62.47 122.93 11.52 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 123.159 2.573 . . . . 74.44 111.958 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -57.78 -38.56 92.46 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.654 2.903 . . . . 74.21 113.42 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.44 -30.77 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.623 0.769 . . . . 53.15 112.298 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.695 ' HG2' ' HB2' ' B' ' 137' ' ' PRO . 2.6 pt20 -111.02 27.89 9.25 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 120.994 0.426 . . . . 73.53 111.191 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.506 ' HG3' HD13 ' B' ' 169' ' ' LEU . 17.7 tt0 -70.75 82.38 0.63 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.05 -0.722 . . . . 74.22 109.05 169.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 126.85 41.28 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.079 -1.452 . . . . 75.52 107.079 172.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.705 HD22 ' H ' ' B' ' 150' ' ' LEU . 0.0 OUTLIER -141.23 153.14 45.11 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 122.941 0.497 . . . . 72.11 110.108 -176.583 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -119.39 110.12 16.58 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 106.847 -1.538 . . . . 52.04 106.847 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' B' ' 165' ' ' SER . 64.7 t80 -108.75 99.73 9.05 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.802 -1.184 . . . . 74.11 107.802 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 45.83 32.83 1.37 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.935 0.894 . . . . 74.04 113.022 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.81 25.3 27.75 Favored Glycine 0 C--N 1.359 1.848 0 C-N-CA 123.117 0.389 . . . . 71.32 114.07 -176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -129.51 172.84 11.14 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.0 0.92 . . . . 73.05 110.759 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -117.51 134.89 54.36 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.616 -1.254 . . . . 65.23 107.616 163.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.705 ' H ' HD22 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.69 96.07 7.42 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.957 -1.498 . . . . 74.12 106.957 164.669 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' B' ' 154' ' ' ARG . 34.3 tt0 -73.44 132.55 43.08 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.045 -0.98 . . . . 75.44 110.234 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -43.47 -45.52 6.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.063 1.745 . . . . 75.45 113.823 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.74 15.54 19.52 Favored Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.819 -1.082 . . . . 64.31 115.432 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.483 ' HD3' ' HB3' ' B' ' 151' ' ' GLU . 0.8 OUTLIER -118.74 174.07 6.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 117.957 0.879 . . . . 73.21 111.391 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.0 p -97.45 173.45 7.17 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.708 1.203 . . . . 74.34 110.408 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.13 -35.77 71.86 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.707 -0.678 . . . . 75.32 109.459 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.4 t -66.49 -29.7 69.87 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.605 0.762 . . . . 71.33 111.074 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -54.8 -33.59 61.7 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.721 0.809 . . . . 74.21 111.781 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -102.59 -1.97 29.32 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.416 -0.811 . . . . 72.02 110.941 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.6 47.48 24.72 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.152 0.981 . . . . 63.41 109.994 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.432 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 9.5 mm -52.41 119.25 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 114.177 -1.374 . . . . 74.14 111.246 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -79.19 149.62 31.9 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 121.393 0.616 . . . . 73.41 110.77 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.7 ptmm? -63.02 126.25 26.7 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.351 -0.981 . . . . 71.03 108.351 170.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 72.09 35.45 1.27 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.35 1.031 . . . . 73.34 109.816 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.403 ' HB3' ' CE2' ' B' ' 145' ' ' PHE . 58.6 m -50.62 146.75 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 116.259 -0.428 . . . . 70.32 111.669 161.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.55 126.56 37.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.163 0.585 . . . . 71.11 110.119 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.46 156.78 44.35 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.375 0.67 . . . . 71.35 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.3 tt -106.63 110.67 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 73.14 110.165 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' B' ' 141' ' ' GLN . 7.6 tt -99.61 141.07 32.89 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.329 -0.989 . . . . 72.44 108.329 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -141.22 141.29 34.04 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.737 0.815 . . . . 73.52 108.92 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.425 ' HG ' HG22 ' B' ' 136' ' ' ILE . 7.0 mp -75.17 96.46 3.29 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.675 -0.861 . . . . 63.41 108.675 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 91.9 m . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 123.446 0.698 . . . . 75.31 110.122 -173.157 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.804 0.812 . . . . 74.04 111.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -48.82 51.1 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-N 113.925 -1.489 . . . . 73.3 111.183 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -46.49 -60.22 2.49 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 125.303 1.627 . . . . 71.32 110.392 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 14.7 ptpt -60.03 -42.53 94.59 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 123.898 0.749 . . . . 73.03 111.998 -170.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.31 -57.79 11.47 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.98 0.8 . . . . 64.22 111.491 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.27 -21.41 62.1 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.42 -0.809 . . . . 71.33 110.689 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -84.06 -27.8 28.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.565 1.146 . . . . 72.32 110.365 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 62.3 mt -69.5 -37.13 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.368 -0.975 . . . . 72.34 108.368 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.68 -40.44 97.11 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.794 -0.639 . . . . 74.52 109.437 171.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -40.18 93.57 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.298 0.639 . . . . 74.45 111.383 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.481 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 35.0 m-85 -66.46 -33.33 75.45 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.854 0.359 . . . . 63.34 110.559 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -73.09 -29.76 63.17 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.691 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 88.5 m -64.06 -37.48 87.58 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.283 -0.636 . . . . 73.3 109.283 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.643 ' HE1' HG22 ' A' ' 44' ' ' ILE . 24.9 m-85 -63.73 -66.38 0.55 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.525 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -35.63 69.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 124.243 0.964 . . . . 72.33 111.652 -167.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . 0.511 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.3 tt0 -70.91 -49.54 44.63 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.411 0.284 . . . . 75.4 110.404 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.624 ' HB1' HD12 ' A' ' 73' ' ' LEU . . . -73.03 -23.14 60.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.861 0.689 . . . . 75.02 112.861 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.48 ' HE2' ' SD ' ' C' ' 776' ' ' MET . 5.3 ppp? -88.38 -48.65 7.48 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 119.154 -0.45 . . . . 62.14 110.092 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.473 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 18.6 mt -69.32 -16.45 63.55 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 118.498 0.59 . . . . 74.23 112.529 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 7.8 t -71.14 -21.33 62.21 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.457 0.571 . . . . 64.21 110.073 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -98.01 -62.43 1.25 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.587 0.755 . . . . 71.43 110.256 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.535 HD11 HD13 ' C' ' 768' ' ' LEU . 0.3 OUTLIER -96.94 64.04 1.98 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.395 1.093 . . . . 74.41 110.319 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.27 79.92 1.32 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.352 -1.295 . . . . 65.4 112.025 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m 162.99 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 126.725 2.01 . . . . 73.1 109.091 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.556 HD22 ' HG2' ' C' ' 772' ' ' ARG . 95.5 mt -134.29 142.31 47.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.17 0.588 . . . . 71.14 110.457 175.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.8 t -69.62 160.62 31.22 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 108.646 -0.872 . . . . 71.11 108.646 163.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.26 -30.73 64.9 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.953 0.501 . . . . 74.32 110.585 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . 0.473 ' HB2' HH11 ' C' ' 772' ' ' ARG . 7.8 m-20 -49.44 -37.3 25.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.471 1.108 . . . . 72.53 113.394 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.556 ' HG2' HD22 ' C' ' 768' ' ' LEU . 6.9 mpt_? -70.94 -66.43 0.61 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.869 0.467 . . . . 73.23 109.975 -174.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.539 HD13 HD21 ' C' ' 799' ' ' LEU . 2.4 pp -62.45 -24.5 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.858 -0.61 . . . . 75.44 111.791 -178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.651 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 23.9 t80 -64.02 -60.42 3.27 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 123.257 0.623 . . . . 74.11 109.776 170.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -54.76 -36.27 64.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.537 1.135 . . . . 72.11 111.746 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.48 ' SD ' ' HE2' ' C' ' 761' ' ' MET . 76.7 mtp -72.6 -53.89 10.64 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.434 -0.803 . . . . 75.32 111.524 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.87 -35.7 73.42 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 120.798 0.332 . . . . 65.31 110.645 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.463 ' HA ' HG22 ' C' ' 781' ' ' VAL . 10.3 tpt180 -67.87 -38.28 82.86 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.291 1.036 . . . . 73.14 110.169 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 44.9 ttp -58.73 -57.43 13.06 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.426 -0.583 . . . . 75.21 109.426 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -57.23 -40.04 76.73 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.6 0.562 . . . . 65.11 112.313 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.596 ' HA ' ' HB3' ' C' ' 786' ' ' ALA . 31.7 m -68.69 -43.32 83.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 118.987 -0.53 . . . . 74.54 112.039 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.81 -32.62 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.5 0.591 . . . . 73.35 112.197 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 24.7 p -72.83 -25.76 61.24 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.054 0.541 . . . . 74.23 111.878 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.2 -160.47 9.69 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 115.466 -0.788 . . . . 75.03 112.311 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.56 4.15 7.06 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 123.193 2.595 . . . . 74.44 112.292 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -57.17 99.64 0.04 OUTLIER 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.466 1.104 . . . . 75.03 111.856 -170.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 81.1 mt 63.67 2.17 1.22 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.306 1.443 . . . . 72.22 113.278 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 49.67 57.79 6.13 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.023 0.929 . . . . 74.22 112.343 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 66.32 114.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.381 1.472 . . . . 74.33 113.247 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.564 HG12 HG11 ' C' ' 781' ' ' VAL . 21.0 pt -101.24 161.46 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.025 0.93 . . . . 70.14 110.155 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.25 -171.26 2.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.692 -0.685 . . . . 74.14 109.188 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' C' ' 796' ' ' GLN . 4.0 mm? -60.6 -26.54 67.05 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.041 0.756 . . . . 74.12 113.041 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -54.6 45.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.157 0.979 . . . . 72.4 109.568 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . 0.469 ' HB2' ' HB ' ' C' ' 790' ' ' ILE . 16.4 mm-40 -70.98 -40.45 71.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 112.957 -1.929 . . . . 74.24 109.578 -173.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.651 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -68.3 -62.78 1.24 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.935 -1.029 . . . . 72.32 110.011 -177.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . 0.534 ' HB3' ' O ' ' C' ' 792' ' ' LEU . 7.1 tt0 -55.2 -40.55 70.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.504 0.722 . . . . 73.41 110.665 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.6 -34.71 90.67 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.89 0.744 . . . . 53.54 113.142 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -65.39 -51.15 62.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.913 0.885 . . . . 74.03 110.328 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.539 HD21 HD13 ' C' ' 773' ' ' ILE . 3.9 mm? -60.09 -48.51 81.4 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 115.882 -0.599 . . . . 74.22 110.673 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -50.62 -46.21 58.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.016 1.326 . . . . 65.43 110.727 176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.68 -56.07 26.97 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.074 0.859 . . . . 74.14 110.499 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.6 mmtt -58.33 -31.14 67.28 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.963 0.727 . . . . 75.15 112.963 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 92.0 t -72.76 -45.89 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 122.566 0.346 . . . . 75.52 110.105 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.72 -23.02 66.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.248 0.619 . . . . 72.43 111.605 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.38 2.51 52.46 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.128 0.971 . . . . 74.31 111.6 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 15.17 5.88 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 125.246 1.418 . . . . 74.41 111.707 -175.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.47 -18.19 27.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.63 1.172 . . . . 75.43 111.251 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.604 ' HG ' HD23 ' C' ' 817' ' ' LEU . 0.8 OUTLIER -147.16 134.76 20.99 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 107.847 -1.168 . . . . 72.32 107.847 -175.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.38 149.37 8.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.97 0.89 . . . . 74.2 111.115 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.81 108.64 17.02 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 113.236 -1.802 . . . . 75.14 107.646 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 32.2 t -84.92 -147.33 0.1 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.243 -1.021 . . . . 74.32 108.243 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.09 77.57 0.94 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.226 0.921 . . . . 73.34 110.664 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.88 14.85 81.25 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.75 -0.659 . . . . 64.41 113.842 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 146.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 123.0 0.52 . . . . 75.3 110.728 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.87 143.31 29.32 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 123.983 0.913 . . . . 74.51 111.97 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.402 ' O ' HD23 ' C' ' 808' ' ' LEU . 27.9 ptt180 -160.36 158.72 30.13 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.939 -1.028 . . . . 75.03 110.116 170.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.604 HD23 ' HG ' ' C' ' 808' ' ' LEU . 96.4 mt -82.28 133.4 50.62 Favored Pre-proline 0 N--CA 1.474 0.766 0 CA-C-O 119.704 -0.189 . . . . 75.33 111.426 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.377 2.027 0 C-N-CA 122.75 2.3 . . . . 71.54 111.059 172.564 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 112.442 -0.263 . . . . 51.3 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -124.06 156.72 36.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.851 0.861 . . . . 74.53 109.539 -175.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -89.29 165.78 14.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.115 0.483 . . . . 71.53 110.466 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -139.05 147.22 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 124.079 0.952 . . . . 74.34 109.818 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 14.6 m-85 -110.6 108.47 18.42 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.446 -1.316 . . . . 71.44 107.446 165.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.75 114.83 42.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 108.569 -0.9 . . . . 73.32 108.569 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -87.74 99.69 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.82 -1.082 . . . . 70.2 108.888 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -93.07 116.31 28.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.14 -0.936 . . . . 73.02 108.512 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.68 141.2 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.748 0.819 . . . . 74.41 110.897 -171.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -133.73 85.0 2.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.068 0.947 . . . . 71.22 109.217 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.472 ' HA ' ' O ' ' B' ' 107' ' ' THR . 30.8 t-105 -92.14 106.17 18.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.642 -0.873 . . . . 73.11 108.642 172.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -162.24 154.89 19.7 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 115.042 -0.981 . . . . 62.24 110.362 -170.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 92.4 m -74.97 138.2 42.12 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.744 1.218 . . . . 64.35 111.471 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mm -109.07 112.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 108.866 -0.79 . . . . 73.31 108.866 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.468 HG21 ' CD1' ' B' ' 104' ' ' PHE . 28.5 p -84.09 115.9 22.61 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.597 -0.52 . . . . 72.44 109.597 173.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 154.81 42.58 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 120.733 0.302 . . . . 75.52 110.836 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 136.84 35.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.09 0.956 . . . . 71.04 109.127 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' HE1' ' B' ' 101' ' ' MET . 7.6 p -132.57 162.45 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 122.919 0.488 . . . . 64.34 110.306 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -100.47 138.18 20.11 Favored Pre-proline 0 C--N 1.346 0.442 0 C-N-CA 123.968 0.907 . . . . 73.44 109.822 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.16 -33.4 49.8 Favored 'Trans proline' 0 C--N 1.366 1.482 0 C-N-CA 122.702 2.268 . . . . 72.41 112.476 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -91.76 -0.79 57.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.995 0.518 . . . . 75.32 111.739 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -90.96 165.07 13.75 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 108.937 -0.764 . . . . 64.34 108.937 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 10.6 p -83.42 161.26 21.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.158 0.583 . . . . 73.3 111.851 176.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.587 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 33.3 mm -62.36 -25.19 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.841 1.257 . . . . 73.01 110.499 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 5.9 tp10 -44.68 -40.16 5.69 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.479 1.512 . . . . 74.54 111.234 168.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.3 t-20 -53.27 -59.5 4.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.743 0.817 . . . . 74.31 110.264 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.34 -52.81 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.267 0.979 . . . . 73.53 110.575 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -67.91 -30.85 70.27 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.412 -0.813 . . . . 75.14 112.013 -175.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.35 65.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.325 0.25 . . . . 75.2 111.173 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.7 mmpt? -72.91 -39.52 66.25 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.533 0.333 . . . . 74.43 111.052 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.555 ' HB ' HD11 ' A' ' 36' ' ' ILE . 17.1 pt -74.68 -29.09 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 CA-C-N 117.56 0.164 . . . . 73.54 110.58 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.69 -34.94 74.63 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.763 0.316 . . . . 74.42 110.94 170.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.42 -49.39 55.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.429 0.692 . . . . 70.04 110.738 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 9.9 mtmp? -87.74 -58.81 2.44 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.177 -0.919 . . . . 75.41 111.888 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -87.92 -14.05 40.3 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 122.257 -0.277 . . . . 70.2 111.403 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.66 33.92 45.59 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.166 0.291 . . . . 61.34 113.519 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 30' ' ' ILE . 51.2 mt -88.04 123.95 67.79 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.464 0.706 . . . . 73.44 110.244 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.0 Cg_endo -80.81 105.12 1.64 Allowed 'Trans proline' 0 CA--C 1.561 1.826 0 C-N-CA 122.672 2.248 . . . . 73.21 111.212 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 43.1 Cg_endo -64.0 -27.46 66.15 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.53 2.82 . . . . 70.22 113.496 -170.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.29 -43.39 61.63 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.802 1.241 . . . . 74.02 111.469 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 5.3 pt20 -112.22 26.36 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.689 0.796 . . . . 75.45 110.241 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.46 118.12 22.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.162 0.985 . . . . 74.33 110.304 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.614 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.9 97.74 8.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.28 1.432 . . . . 71.22 109.457 175.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.85 114.22 18.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.216 -1.401 . . . . 72.5 107.216 170.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.53 HG12 ' HG2' ' A' ' 49' ' ' GLN . 37.9 mt -124.24 139.61 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 118.962 0.801 . . . . 73.25 110.87 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 61' ' ' ILE . 1.1 t80 -126.97 101.67 6.66 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 125.435 1.494 . . . . 73.2 108.097 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.56 32.97 21.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.797 0.686 . . . . 44.22 112.254 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.49 6.94 58.32 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 115.068 0.787 . . . . 54.42 115.068 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -114.71 113.07 23.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.163 0.585 . . . . 74.32 109.789 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.53 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.5 mt-30 -73.34 110.35 7.56 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.765 -0.828 . . . . 72.41 108.765 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.8 101.52 2.62 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.657 0.783 . . . . 73.11 110.449 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 128.21 33.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 107.804 -1.184 . . . . 73.44 107.804 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.587 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.0 p-10 -56.66 -28.6 61.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.603 1.561 . . . . 73.12 114.368 -164.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.89 -18.38 74.29 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.797 -0.638 . . . . 75.42 114.161 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.79 174.72 9.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 117.497 0.648 . . . . 63.43 110.028 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 16.4 m -97.36 160.12 14.52 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.03 0.932 . . . . 75.33 109.631 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.53 -51.64 66.6 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.283 0.563 . . . . 74.45 110.256 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.67 -22.75 67.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.21 0.604 . . . . 75.43 112.083 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 55' ' ' THR . 22.4 t70 -56.51 -33.89 66.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.869 0.868 . . . . 75.25 111.173 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.74 -3.2 33.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.124 0.569 . . . . 71.35 111.637 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 t30 58.16 63.62 1.71 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.723 0.773 . . . . 72.34 109.503 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.444 HD11 ' CD2' ' A' ' 45' ' ' PHE . 2.5 mm -77.17 108.62 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.13 -0.941 . . . . 74.55 108.73 177.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -84.92 -173.67 4.85 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.026 -0.534 . . . . 75.2 110.228 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 4.6 ttmp? -81.66 148.2 29.15 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.855 0.462 . . . . 75.42 109.82 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.551 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 39.9 mt-10 58.68 27.7 16.21 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.026 1.331 . . . . 72.52 112.724 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.423 ' HB2' HG21 ' B' ' 103' ' ' ILE . 53.9 m -62.43 115.13 3.96 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 123.23 0.612 . . . . 73.35 110.396 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.38 9.23 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.994 0.426 . . . . 71.43 110.245 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.515 HD22 HG22 ' B' ' 105' ' ' VAL . 0.3 OUTLIER -89.29 157.99 18.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.522 0.729 . . . . 73.1 109.673 178.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -125.06 129.84 73.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.828 0 CA-C-O 121.237 0.541 . . . . 63.43 110.081 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' B' ' 107' ' ' THR . 95.9 mt -100.05 105.61 17.28 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.148 -0.933 . . . . 73.52 109.989 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 90.0 mt -97.66 113.83 25.66 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.473 -0.936 . . . . 73.25 108.473 173.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 tp -74.75 168.01 20.7 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 118.789 0.722 . . . . 74.33 109.418 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 1.1 m -29.9 113.38 0.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.965 2.106 . . . . 75.22 115.075 -169.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -160.66 -77.74 0.06 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.607 0.763 . . . . 75.13 108.984 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 123.667 0.787 . . . . 75.43 108.919 177.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.634 -0.586 . . . . 73.14 111.634 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.423 ' HE1' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -134.41 163.02 30.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.102 0.561 . . . . 75.45 110.203 179.127 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.5 153.21 17.81 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.76 -1.2 . . . . 65.43 107.76 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.423 HG21 ' HB2' ' A' ' 65' ' ' SER . 27.0 pt -144.13 147.46 19.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 C-N-CA 123.02 0.528 . . . . 73.53 110.091 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.468 ' CD1' HG21 ' A' ' 14' ' ' THR . 12.5 m-30 -106.43 100.45 9.97 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.154 -1.054 . . . . 74.21 108.154 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.515 HG22 HD22 ' A' ' 67' ' ' LEU . 47.9 t -101.6 103.18 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 108.347 -0.983 . . . . 75.01 108.347 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 6.3 t0 -83.59 124.45 30.8 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.99 -0.745 . . . . 74.11 108.99 -172.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.54 ' HB ' HD13 ' A' ' 69' ' ' LEU . 10.2 t -122.71 144.27 49.26 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.762 0.825 . . . . 74.05 110.759 -172.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.44 109.27 27.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.855 -0.795 . . . . 73.13 108.855 162.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 87.46 4.39 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.037 -1.468 . . . . 73.12 107.037 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -98.16 142.14 30.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.171 0.988 . . . . 72.15 109.834 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.88 149.69 16.53 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.091 -0.959 . . . . 74.14 109.68 167.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.1 m -102.99 126.97 50.39 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.391 0.676 . . . . 73.44 109.536 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -106.15 137.01 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 107.618 -1.253 . . . . 71.43 107.618 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.7 m -111.65 124.1 51.61 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.884 -0.414 . . . . 74.03 109.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 169.24 17.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.01 0.524 . . . . 75.11 110.594 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -112.93 144.21 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.6 -0.889 . . . . 75.51 108.6 170.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.68 -178.11 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 N-CA-C 108.915 -0.772 . . . . 71.24 108.915 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.43 149.74 72.42 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 108.84 -0.8 . . . . 75.13 108.84 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 -34.81 98.61 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.061 2.508 . . . . 73.44 112.481 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.5 m -78.24 -9.23 59.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.198 -0.91 . . . . 74.43 111.939 -175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.62 170.86 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.303 0.573 . . . . 74.53 110.687 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -110.36 155.79 21.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.92 -1.036 . . . . 73.2 111.258 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.78 -23.88 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 113.986 -1.461 . . . . 74.01 111.575 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.3 pt-20 -54.11 -35.17 61.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.567 0.747 . . . . 70.53 111.201 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -66.24 -47.57 73.35 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.659 0.784 . . . . 75.12 110.71 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.92 -46.98 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.394 0.678 . . . . 75.31 110.422 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.446 ' HZ2' ' HB2' ' B' ' 152' ' ' ASP . 55.8 pttt -68.39 -36.67 79.48 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.812 -0.631 . . . . 75.24 111.04 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.14 79.88 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.667 0.387 . . . . 74.42 110.764 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.64 -37.06 60.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.331 0.652 . . . . 75.24 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -68.59 -34.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.602 0.637 . . . . 73.33 109.583 173.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.3 -40.21 89.85 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.761 0.424 . . . . 74.34 111.163 172.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.5 -51.35 52.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 71.31 111.371 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -89.64 -53.93 4.3 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.829 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.5 -8.97 49.0 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.194 -169.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.8 73.53 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 123.322 0.389 . . . . 61.33 113.256 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.44 HG22 ' HG3' ' B' ' 141' ' ' GLN . 73.4 mt -85.56 127.1 64.54 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 124.052 0.941 . . . . 74.14 110.833 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.49 107.4 1.21 Allowed 'Trans proline' 0 CA--C 1.56 1.812 0 C-N-CA 122.521 2.147 . . . . 74.11 110.9 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 44.9 Cg_endo -63.36 -39.28 38.21 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.501 2.8 . . . . 74.24 114.444 -165.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 -29.46 28.83 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.422 0.689 . . . . 71.53 110.962 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -20.12 57.19 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.408 1.083 . . . . 73.35 110.503 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.487 ' OE1' ' HA ' ' B' ' 171' ' ' LEU . 15.2 mm-40 -117.81 98.59 6.43 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.951 -0.759 . . . . 73.51 108.951 175.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -77.59 104.9 8.39 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.128 -0.693 . . . . 74.31 109.128 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 126.5 28.81 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 114.874 -1.057 . . . . 72.33 108.892 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . 0.737 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 25.3 t70 -113.39 151.43 31.31 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.87 1.268 . . . . 72.05 110.847 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.446 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 10.3 t80 -142.26 107.31 4.94 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.98 0.912 . . . . 75.12 109.341 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.92 24.52 14.61 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.295 1.038 . . . . 73.31 112.803 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.33 5.91 60.24 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.187 -0.229 . . . . 60.14 113.569 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -129.65 117.81 20.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.397 -0.964 . . . . 75.02 108.397 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.737 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 0.0 OUTLIER -71.29 152.7 43.01 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.813 0.339 . . . . 75.24 110.842 -178.1 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.683 HD23 HD22 ' B' ' 167' ' ' LEU . 1.6 mm? -86.37 109.74 19.22 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.415 -0.958 . . . . 74.01 108.415 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.644 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 4.8 tt0 -56.18 132.29 50.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.881 -0.785 . . . . 72.44 108.881 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.446 ' HB2' ' HZ2' ' B' ' 127' ' ' LYS . 10.8 p-10 -60.99 -31.31 70.92 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.167 0.987 . . . . 74.33 112.731 -168.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.06 12.33 57.4 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.313 -0.403 . . . . 33.31 113.394 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.644 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 7.2 tpt180 -85.54 175.1 8.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.083 0.553 . . . . 64.22 110.305 -173.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -102.18 152.29 21.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.535 0.734 . . . . 62.25 110.042 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.65 -42.02 95.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.091 0.556 . . . . 74.54 110.714 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -68.34 -24.88 64.87 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.346 -0.843 . . . . 73.14 111.735 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.57 -30.81 67.45 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.267 0.627 . . . . 75.03 111.132 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.529 ' HB2' HG13 ' B' ' 161' ' ' ILE . 89.2 m-85 -100.52 -7.25 24.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.05 0.54 . . . . 74.02 110.441 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.2 t30 49.82 58.94 4.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.966 1.307 . . . . 73.32 110.121 -168.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.529 HG13 ' HB2' ' B' ' 159' ' ' TYR . 9.2 mt -71.71 120.49 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 114.604 -1.18 . . . . 74.12 110.031 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . 0.403 ' NE2' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -100.2 162.15 13.15 Favored 'General case' 0 C--O 1.262 1.76 0 CA-C-N 115.49 -0.777 . . . . 71.1 109.737 178.339 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -53.52 138.28 34.31 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.547 -1.206 . . . . 74.42 110.394 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 pt-20 70.8 16.2 6.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.701 1.601 . . . . 75.11 112.73 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.403 ' HB3' ' NE2' ' B' ' 162' ' ' GLN . 37.5 p -51.18 125.84 15.05 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 123.351 0.407 . . . . 53.2 110.649 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.03 108.95 21.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.698 0.399 . . . . 72.13 110.003 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.683 HD22 HD23 ' B' ' 150' ' ' LEU . 1.0 OUTLIER -115.8 149.96 37.71 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.324 -1.361 . . . . 74.04 107.324 -177.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.86 140.33 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 119.719 1.145 . . . . 74.43 110.805 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.403 HD23 HG21 ' B' ' 136' ' ' ILE . 9.3 mp -70.51 132.74 45.98 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.536 0.335 . . . . 64.14 110.451 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.68 147.65 31.59 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 107.988 -1.116 . . . . 62.03 107.988 165.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.487 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 7.6 mp -70.21 155.39 40.71 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 118.636 -0.697 . . . . 74.02 109.414 172.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.685 1.231 . . . . 63.21 114.279 -176.021 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.772 0.32 . . . . 72.23 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.44 -50.1 74.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.893 1.277 . . . . 73.31 110.527 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -62.26 -58.58 7.22 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 115.325 -0.852 . . . . 75.05 110.677 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 15.1 ptpt -63.81 -39.85 95.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 114.584 -1.189 . . . . 75.24 111.753 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.9 -49.5 73.23 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 123.765 0.665 . . . . 74.12 110.876 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.4 -21.62 59.55 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.79 0.681 . . . . 75.51 111.486 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.01 -49.27 73.08 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.785 -0.82 . . . . 71.23 108.785 167.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 43.4 mt -66.38 -33.8 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.89 0.744 . . . . 74.25 111.3 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.27 -36.44 71.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.324 -0.991 . . . . 74.51 108.324 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -49.54 65.62 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.551 0.741 . . . . 74.24 110.132 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.486 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 28.3 m-85 -55.83 -39.64 71.7 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.551 0.74 . . . . 75.51 109.973 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.477 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 4.9 t-105 -67.33 -40.64 85.93 Favored 'General case' 0 C--O 1.197 -1.693 0 CA-C-N 114.164 -1.38 . . . . 75.24 110.202 177.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 42.3 m -64.73 -35.36 80.81 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.838 0.744 . . . . 61.14 110.555 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.486 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 37.5 m-85 -61.39 -61.86 2.24 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 122.916 0.486 . . . . 75.33 110.144 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.519 HD11 HD12 ' C' ' 777' ' ' LEU . 50.3 mt -62.74 -37.23 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.922 0.764 . . . . 72.02 111.154 -176.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . 0.45 ' HA ' HD11 ' C' ' 817' ' ' LEU . 8.0 tt0 -68.37 -54.84 14.57 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.093 0.557 . . . . 74.32 109.816 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -73.01 -27.31 61.71 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.484 -0.78 . . . . 74.44 112.305 -172.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.1 ptm -70.34 -50.36 39.9 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.42 -0.956 . . . . 74.43 108.42 170.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' C' ' 816' ' ' ARG . 15.1 mt -68.39 -13.11 62.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.349 0.66 . . . . 74.14 112.749 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.9 m -73.11 -22.93 60.46 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.67 0.788 . . . . 74.42 110.659 173.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -107.88 -68.02 0.93 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.24 -0.652 . . . . 64.44 109.24 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.586 HD13 HD22 ' C' ' 768' ' ' LEU . 0.4 OUTLIER -86.66 68.86 10.27 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.313 1.054 . . . . 74.41 108.892 -177.088 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.531 ' HB2' ' HG3' ' C' ' 816' ' ' ARG . 12.6 pt-20 -74.56 78.13 1.97 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.053 -1.431 . . . . 74.44 111.245 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 18.6 m 157.52 117.76 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 128.4 2.68 . . . . 72.33 108.464 168.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.586 HD22 HD13 ' C' ' 765' ' ' LEU . 1.0 OUTLIER -162.93 159.42 23.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.014 0.925 . . . . 72.42 109.989 176.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 769' ' ' SER . . . . . 0.446 ' OG ' ' HG3' ' C' ' 772' ' ' ARG . 78.9 p -80.97 156.68 25.83 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 120.969 0.414 . . . . 73.34 110.034 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.514 HD12 ' HG ' ' C' ' 799' ' ' LEU . 7.2 tp -58.46 -33.39 69.69 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.941 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.28 -41.45 88.94 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.318 1.047 . . . . 74.13 111.351 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.446 ' HG3' ' OG ' ' C' ' 769' ' ' SER . 61.2 mtp180 -62.52 -59.64 4.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.283 -0.872 . . . . 75.52 110.551 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.74 -21.62 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 115.676 -0.693 . . . . 72.42 111.832 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.564 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 53.6 t80 -60.66 -54.38 46.0 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.817 -0.808 . . . . 62.23 108.817 169.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.5 -36.0 77.29 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 123.778 0.674 . . . . 72.11 111.547 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.41 -60.7 3.39 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.413 0.446 . . . . 72.3 110.189 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.519 HD12 HD11 ' C' ' 758' ' ' ILE . 8.4 mt -52.74 -34.23 51.76 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.656 0.783 . . . . 75.01 112.154 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.555 ' HA ' HG13 ' C' ' 781' ' ' VAL . 0.0 OUTLIER -65.18 -47.34 77.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.448 0.699 . . . . 75.11 111.238 177.806 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.7 tpt -50.96 -49.37 60.16 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.157 0.911 . . . . 70.13 110.368 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -74.88 -26.5 59.71 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 113.043 0.757 . . . . 74.01 113.043 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' C' ' 778' ' ' ARG . 4.5 p -89.68 -17.29 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.699 0.4 . . . . 74.52 111.338 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 -35.78 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 122.281 -0.262 . . . . 74.15 110.405 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.1 p -65.53 -27.16 68.26 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 111.859 0.318 . . . . 70.53 111.859 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.94 174.46 15.56 Favored Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.541 -1.024 . . . . 64.34 110.541 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.93 -33.46 15.89 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 121.954 1.77 . . . . 75.32 110.891 168.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' C' ' 781' ' ' VAL . . . 40.14 -87.23 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.502 1.921 . . . . 64.05 113.963 -171.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.07 37.3 4.08 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.657 0.783 . . . . 73.14 109.655 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 58.65 36.3 24.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.266 1.026 . . . . 43.03 111.239 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 74.65 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.197 1.799 . . . . 70.25 110.832 -169.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . . . . . . . . . 8.2 pt -81.42 172.32 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.21 1.004 . . . . 74.44 109.948 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -129.12 175.7 8.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.386 0.674 . . . . 73.22 110.099 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.08 -44.93 94.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.136 0.974 . . . . 74.23 111.792 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -62.83 -32.72 73.98 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.921 0.391 . . . . 65.11 110.445 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.26 -37.98 51.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.133 -0.94 . . . . 74.2 109.758 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.564 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.0 OUTLIER -70.37 -62.22 1.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.64 1.176 . . . . 74.5 109.103 -179.017 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -54.17 -46.38 72.32 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.995 0.918 . . . . 71.04 110.695 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.47 -43.15 77.18 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.984 0.803 . . . . 74.22 113.153 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.477 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 21.8 t80 -58.27 -55.2 38.09 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.318 1.047 . . . . 74.01 110.711 176.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.514 ' HG ' HD12 ' C' ' 770' ' ' LEU . 4.5 mm? -63.51 -49.65 72.73 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.789 -1.096 . . . . 73.21 111.885 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.13 -30.49 71.42 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.677 0.611 . . . . 74.31 110.041 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -55.58 31.68 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 108.623 -0.88 . . . . 74.41 108.623 171.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -53.31 -38.82 63.51 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.927 0.767 . . . . 75.34 112.583 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 50.0 t -65.77 -47.53 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.776 -0.453 . . . . 72.12 109.776 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -79.21 -5.21 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.491 0.716 . . . . 74.31 112.381 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -91.56 1.46 57.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.716 1.206 . . . . 73.5 110.876 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 12.1 7.07 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.618 1.567 . . . . 71.34 112.015 -173.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.77 -32.39 25.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.893 0.877 . . . . 74.32 110.718 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' C' ' 815' ' ' TYR . 60.8 tp -134.95 143.01 46.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.899 1.28 . . . . 75.14 109.009 -168.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . 0.448 HG21 ' O ' ' C' ' 816' ' ' ARG . 10.8 m -105.61 152.01 7.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 73.34 110.064 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.0 110.08 15.83 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.683 1.193 . . . . 74.41 108.18 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 20.8 t -85.63 -148.71 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.819 -1.178 . . . . 74.24 107.819 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.58 76.04 1.08 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.948 0.794 . . . . 62.25 111.097 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.74 81.89 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.698 -0.683 . . . . 75.24 113.348 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.92 153.38 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.049 0.539 . . . . 74.1 110.283 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . 0.499 ' HB3' HD13 ' C' ' 808' ' ' LEU . 46.9 m-85 -102.71 142.77 33.31 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.27 0.628 . . . . 72.43 110.943 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.556 ' HA ' HD22 ' C' ' 762' ' ' LEU . 50.8 ttt180 -145.68 136.7 24.64 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.102 1.361 . . . . 73.11 109.068 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' C' ' 759' ' ' GLN . 24.3 mt -87.84 128.61 53.55 Favored Pre-proline 0 N--CA 1.475 0.806 0 O-C-N 122.049 -0.407 . . . . 70.15 110.872 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 C--N 1.369 1.631 0 C-N-CA 122.72 2.28 . . . . 75.21 110.634 167.811 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.731 -0.548 . . . . 51.22 111.731 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.432 ' HE3' HG11 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -152.87 -177.95 6.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.064 0.945 . . . . 74.43 110.268 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -135.53 134.33 39.33 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.142 -1.058 . . . . 75.24 108.142 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.74 156.74 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 109.27 -0.641 . . . . 74.13 109.27 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' HB3' HG21 ' B' ' 112' ' ' THR . 21.8 m-85 -95.96 128.37 42.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 73.02 109.158 170.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.572 HG23 ' HB ' ' B' ' 113' ' ' ILE . 3.0 m -110.28 106.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 108.537 -0.912 . . . . 71.34 108.537 172.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 14.3 m-20 -78.59 99.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.161 1.384 . . . . 75.34 109.663 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.666 HG23 HD22 ' B' ' 169' ' ' LEU . 40.7 p -87.71 102.46 14.66 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 174.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.9 119.03 48.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 122.088 0.946 . . . . 70.32 109.247 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.695 ' HB3' ' HG3' ' B' ' 109' ' ' GLN . 28.8 tt0 -95.02 97.27 9.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.4 -1.273 . . . . 74.23 108.092 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.497 ' HH2' HD11 ' A' ' 68' ' ' ILE . 5.4 t-105 -118.12 98.16 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 106.494 -1.669 . . . . 73.11 106.494 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -164.55 156.28 15.85 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.861 1.06 . . . . 74.33 113.861 -172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 27.4 m -76.79 130.01 37.07 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.452 1.101 . . . . 74.52 110.877 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mm -113.05 111.93 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.667 -0.864 . . . . 75.11 108.667 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.7 m -83.76 119.5 24.89 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.676 -0.861 . . . . 74.12 108.676 174.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 HG22 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -144.23 153.45 42.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.521 0.329 . . . . 74.43 111.204 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 2.0 tm-20 -84.09 143.23 29.85 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.006 0.922 . . . . 73.41 108.699 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.532 HG13 ' HE2' ' B' ' 101' ' ' MET . 9.1 p -150.99 155.31 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.199 0.6 . . . . 74.04 109.628 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.69 147.18 35.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.474 0.709 . . . . 74.15 110.184 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.63 -34.21 64.17 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.691 2.261 . . . . 64.25 112.223 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 m -77.3 -12.39 59.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.724 0.81 . . . . 73.52 112.126 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.99 151.38 45.64 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.759 -0.46 . . . . 72.25 109.759 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.524 ' HG1' ' HG3' ' A' ' 24' ' ' GLU . 1.3 p -82.56 160.25 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.598 -0.728 . . . . 74.1 110.465 166.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 HD22 ' A' ' 56' ' ' LEU . 23.5 mm -66.28 -26.53 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.638 0.775 . . . . 72.15 110.098 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' ' HG1' ' A' ' 22' ' ' THR . 0.2 OUTLIER -62.17 -21.16 64.85 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.537 0.735 . . . . 74.01 111.299 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.432 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 63.0 m-80 -61.96 -60.82 3.06 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.874 0.734 . . . . 72.44 109.223 170.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -56.84 -36.0 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 123.813 0.845 . . . . 72.21 111.256 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HD2' ' HB3' ' A' ' 38' ' ' PRO . 36.2 ttpt -57.14 -53.41 58.39 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.742 1.217 . . . . 74.35 111.215 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -24.53 63.3 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.432 -0.803 . . . . 71.34 112.017 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 4.0 mptp? -70.02 -54.39 13.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.858 0.863 . . . . 74.45 109.648 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.443 HG23 HD22 ' A' ' 69' ' ' LEU . 2.7 pp -65.63 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 117.902 0.319 . . . . 70.3 110.872 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 9.0 tt0 -67.65 -35.28 78.6 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 115.815 -0.629 . . . . 74.13 110.615 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.22 -44.23 72.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.274 0.63 . . . . 71.24 110.472 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 73.1 mmtt -81.08 -71.36 0.47 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.995 -1.002 . . . . 70.11 111.138 -172.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.3 -25.17 36.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.505 0.722 . . . . 75.53 111.765 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.03 23.08 56.33 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 121.77 -0.252 . . . . 63.33 113.482 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD11 HD23 ' A' ' 69' ' ' LEU . 43.1 mt -73.36 125.13 90.98 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.562 0.745 . . . . 72.43 109.664 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.19 135.25 53.38 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 123.244 2.63 . . . . 73.44 112.329 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 6.2 Cg_endo -49.08 -44.33 33.33 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 124.367 3.378 . . . . 73.12 113.901 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.74 -26.91 62.66 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.251 -0.886 . . . . 65.03 112.331 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -102.65 26.37 8.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.215 0.606 . . . . 74.42 112.457 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.655 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 4.2 pt20 -131.54 163.47 27.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.593 0.711 . . . . 75.02 111.724 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 37.2 mtp85 -140.82 100.33 3.81 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 107.147 -1.427 . . . . 74.45 107.147 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.05 134.66 34.2 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.662 -0.866 . . . . 74.33 108.662 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG12 ' HG2' ' A' ' 49' ' ' GLN . 49.4 mt -134.94 138.8 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 121.065 0.459 . . . . 74.32 109.79 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.79 101.73 5.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.504 -0.924 . . . . 75.11 108.504 -171.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.59 40.67 31.73 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.1 0.875 . . . . 60.32 110.855 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 -2.27 78.76 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.067 -0.969 . . . . 73.44 115.499 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -97.96 120.03 37.63 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.239 1.019 . . . . 73.21 110.478 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.6 mt-30 -81.65 115.59 20.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 73.52 108.111 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.01 126.61 34.85 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 123.967 0.792 . . . . 74.25 111.781 -164.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -76.48 127.19 32.35 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 107.664 -1.235 . . . . 74.33 107.664 164.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 12.1 p-10 -61.95 -28.27 69.42 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.139 0.576 . . . . 73.34 111.37 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.91 -1.3 78.39 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.83 -0.623 . . . . 71.42 114.577 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.74 177.67 6.02 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.694 0.747 . . . . 75.42 109.876 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 27.4 m -106.69 157.34 17.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.592 0.757 . . . . 75.22 109.639 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' O ' HG12 ' A' ' 61' ' ' ILE . 2.6 mm? -59.6 -53.01 63.05 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 109.035 -0.728 . . . . 72.34 109.035 173.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 t -61.6 -22.24 65.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.628 0.771 . . . . 72.41 112.402 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.93 -33.48 71.95 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.599 0.759 . . . . 72.32 111.118 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.18 -2.92 35.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.674 -0.693 . . . . 72.42 111.218 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 60.3 65.58 1.06 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.964 0.906 . . . . 64.15 110.82 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.4 mm -77.64 107.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 114.988 -1.006 . . . . 73.25 109.577 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -85.97 -176.14 5.86 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.187 -0.915 . . . . 73.13 109.19 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.5 ttpp -92.5 155.24 17.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.159 0.584 . . . . 74.3 110.958 -177.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 56.13 41.47 29.45 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.744 1.217 . . . . 75.54 111.282 -173.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -99.72 129.72 45.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.178 0.591 . . . . 71.13 111.279 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' C' ' 779' ' ' MET . . . -85.16 102.3 13.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.501 0.667 . . . . 63.5 110.861 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' HB3' HG23 ' B' ' 105' ' ' VAL . 3.6 tt -87.94 126.53 35.11 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 106.641 -1.614 . . . . 72.5 106.641 171.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' B' ' 106' ' ' ASP . 9.8 tp -97.43 126.93 50.17 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 108.786 -0.82 . . . . 73.4 108.786 172.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 36' ' ' ILE . 57.1 tp -98.5 105.17 17.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.439 -0.948 . . . . 74.42 108.439 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' C' ' 760' ' ' ALA . 74.6 mt -96.71 162.94 13.22 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.513 -0.921 . . . . 63.25 108.513 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.655 ' HA ' ' HA ' ' A' ' 41' ' ' GLN . 1.7 pt? -116.38 174.81 5.86 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 108.861 -0.792 . . . . 70.24 108.861 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.03 114.31 1.4 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 122.921 0.488 . . . . 72.11 111.849 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.568 ' HA ' HG21 ' C' ' 763' ' ' THR . 4.0 pp -75.4 -19.41 59.53 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.0 -1.0 . . . . 73.31 110.912 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.01 1.324 . . . . 75.51 108.392 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.67 -0.572 . . . . 62.22 111.67 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.532 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -144.13 149.67 36.89 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.81 0.844 . . . . 74.44 109.532 179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.616 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 10.7 mp0 -108.93 125.0 51.56 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.418 -1.327 . . . . 73.23 107.418 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 39.6 pt -118.23 166.67 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.347 0.659 . . . . 73.53 110.887 -173.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 12.4 m-85 -113.42 101.53 9.46 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.756 0.822 . . . . 74.51 108.968 -176.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.459 HG22 HD12 ' A' ' 15' ' ' LEU . 57.3 t -96.7 105.19 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.908 -0.775 . . . . 71.43 108.908 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.557 ' HB3' HD13 ' A' ' 68' ' ' ILE . 3.0 t70 -78.44 103.06 8.14 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.119 -1.067 . . . . 72.51 108.119 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.7 t -91.73 145.23 24.75 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 114.631 -1.168 . . . . 75.35 112.164 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 36.4 t -120.05 120.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 125.374 1.671 . . . . 74.25 109.508 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.695 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -142.9 150.19 39.46 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.899 -0.778 . . . . 75.32 108.899 160.52 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . 0.487 ' HB2' HD22 ' C' ' 764' ' ' ASN . 10.8 t-105 -126.43 135.19 51.08 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 107.301 -1.37 . . . . 72.25 107.301 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.413 ' HB3' ' HG1' ' A' ' 7' ' ' THR . 87.1 tttt -139.81 125.29 19.13 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.732 0.645 . . . . 75.01 109.414 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 4' ' ' PHE . 57.9 m -94.46 116.36 28.71 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.261 0.625 . . . . 75.11 109.406 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.572 ' HB ' HG23 ' A' ' 5' ' ' VAL . 14.0 mt -101.72 163.09 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 73.1 108.565 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 18.3 p -122.82 132.23 54.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.067 0.947 . . . . 72.42 109.661 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.444 HD12 ' HD3' ' B' ' 129' ' ' LYS . 2.5 pt? -133.34 164.99 25.88 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.591 -0.892 . . . . 75.42 108.591 171.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 33.2 mt-10 -114.9 151.47 33.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.33 1.052 . . . . 72.24 109.032 169.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.432 HG11 ' HE3' ' A' ' 1' ' ' MET . 6.6 p -156.46 171.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.43 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -109.91 151.25 42.3 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 123.39 0.676 . . . . 71.53 110.152 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.08 -35.83 32.13 Favored 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 122.549 2.166 . . . . 71.13 112.728 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.8 -8.61 59.71 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.499 0.32 . . . . 75.13 111.141 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.408 ' HB3' HD21 ' B' ' 125' ' ' ASN . 38.3 m-20 -72.33 158.94 34.86 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.193 0.597 . . . . 71.2 110.25 177.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.4 p -91.34 162.72 14.48 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.356 0.662 . . . . 75.31 111.073 172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.56 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 34.0 mm -70.71 -20.38 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 CA-C-N 114.874 -1.057 . . . . 73.33 109.958 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.515 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 13.5 pt-20 -62.17 -30.61 71.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.927 0.491 . . . . 71.41 110.72 176.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.408 HD21 ' HB3' ' B' ' 121' ' ' ASP . 55.1 m-20 -69.8 -41.05 75.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.303 0.641 . . . . 60.34 110.121 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.74 -51.87 67.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 123.67 0.788 . . . . 72.21 109.911 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 60.3 pttt -64.13 -39.09 93.28 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.894 -0.593 . . . . 72.33 110.698 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.48 93.91 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 116.078 -0.51 . . . . 73.11 111.383 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.444 ' HD3' HD12 ' B' ' 115' ' ' LEU . 16.1 ptmt -78.27 -34.88 48.69 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.361 0.413 . . . . 74.52 111.754 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.518 ' HB ' HD12 ' B' ' 136' ' ' ILE . 23.3 pt -72.5 -30.16 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 110.072 -0.344 . . . . 74.21 110.072 174.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.55 -37.41 77.04 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.301 0.64 . . . . 74.15 110.903 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.73 -43.77 71.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.056 0.943 . . . . 71.33 111.477 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 -58.95 2.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.194 -0.912 . . . . 65.22 111.222 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.25 -15.17 26.14 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.522 0.329 . . . . 72.33 111.41 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.52 53.49 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.348 0.405 . . . . 75.41 112.557 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.518 HD12 ' HB ' ' B' ' 130' ' ' ILE . 97.3 mt -86.37 110.06 28.41 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.115 0.966 . . . . 71.34 109.532 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.97 118.9 4.54 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 C-N-CA 122.472 2.114 . . . . 72.53 109.81 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.56 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.7 Cg_endo -58.15 -36.3 97.99 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 123.631 2.887 . . . . 75.04 114.071 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.55 -29.07 62.21 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.414 -0.812 . . . . 73.31 110.022 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.722 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 0.0 OUTLIER -87.29 -22.7 24.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.361 0.665 . . . . 75.52 110.688 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 103.17 4.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.008 0.923 . . . . 72.44 108.985 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.53 129.74 36.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 74.13 110.063 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.579 ' HB3' HD23 ' B' ' 167' ' ' LEU . 13.0 mt -85.61 125.67 33.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.889 -0.782 . . . . 75.34 108.889 -178.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.91 144.0 51.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.668 0.787 . . . . 74.32 109.984 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.501 ' HB2' HD22 ' B' ' 150' ' ' LEU . 0.1 OUTLIER -127.05 102.86 7.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.967 -1.123 . . . . 74.33 107.967 177.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 49.29 36.3 9.2 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.785 1.234 . . . . 75.31 113.315 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.71 16.06 43.74 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.996 -0.547 . . . . 65.32 114.318 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -121.23 119.12 31.37 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.918 -0.771 . . . . 75.34 108.918 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.38 136.59 55.01 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.308 -0.627 . . . . 74.13 109.308 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.501 HD22 ' HB2' ' B' ' 145' ' ' PHE . 66.7 mt -94.48 104.31 16.27 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.061 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.1 130.61 43.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.092 -0.958 . . . . 73.14 108.602 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.7 p-10 -67.38 -25.82 66.15 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.637 0.256 . . . . 74.13 111.223 -173.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -84.28 6.19 77.23 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.773 -0.649 . . . . 71.21 113.871 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.16 167.54 11.14 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.06 -1.089 . . . . 75.24 108.06 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 15.5 p -104.31 166.84 10.14 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.039 0.447 . . . . 74.31 110.99 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.536 ' HA ' HD13 ' B' ' 161' ' ' ILE . 3.2 mm? -69.85 -41.84 74.36 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.298 -0.865 . . . . 74.43 109.234 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.3 t -68.96 -24.33 64.24 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.852 -0.613 . . . . 64.21 111.437 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.21 -31.05 70.82 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.708 0.63 . . . . 75.24 110.54 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.515 ' HB2' HG13 ' B' ' 161' ' ' ILE . 95.2 m-85 -102.94 4.22 37.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.52 0.728 . . . . 74.44 111.203 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.8 t30 60.42 28.24 17.87 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.054 0.941 . . . . 73.31 111.294 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' B' ' 156' ' ' LEU . 99.4 mt -58.64 128.71 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.637 1.175 . . . . 75.3 110.997 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.02 174.5 9.95 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 122.117 0.961 . . . . 74.45 111.422 -172.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -59.53 141.26 55.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 114.358 -1.292 . . . . 75.11 110.177 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 55.45 23.39 5.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.121 2.169 . . . . 74.24 113.401 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 66.0 m -67.54 142.01 56.68 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 120.602 -0.439 . . . . 51.42 110.12 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.44 106.14 16.83 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.57 0.7 . . . . 75.33 110.74 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' B' ' 143' ' ' LEU . 4.8 tt -97.3 120.1 37.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.754 1.622 . . . . 74.53 107.261 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 17.9 pt -101.22 143.15 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.059 0.845 . . . . 72.33 110.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.666 HD22 HG23 ' A' ' 7' ' ' THR . 11.2 mp -101.1 122.3 43.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.02 -0.991 . . . . 72.32 109.134 175.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.61 158.73 15.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.232 -1.025 . . . . 74.44 108.232 170.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.89 166.01 20.41 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 110.204 -0.295 . . . . 75.44 110.204 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.722 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 4.5 t . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 124.346 1.058 . . . . 70.02 113.509 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.576 0.227 . . . . 61.01 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 7.7 m-20 -62.75 -52.44 63.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.3 1.0 . . . . 72.24 111.252 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 0.0 OUTLIER -59.28 -28.56 66.86 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.967 0.792 . . . . 74.35 111.923 -169.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.99 -61.59 2.5 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.0 0.813 . . . . 74.44 110.077 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.91 -41.71 96.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.692 1.245 . . . . 74.33 111.274 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 28.3 mm-40 -63.06 -41.25 99.41 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.442 0.639 . . . . 63.15 110.471 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' C' ' 746' ' ' GLN . 2.6 tp10 -66.32 -43.77 85.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 114.392 -1.276 . . . . 71.12 110.568 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.83 -26.67 66.17 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 124.272 0.982 . . . . 60.34 110.803 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -78.42 -34.42 47.96 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.604 -0.887 . . . . 74.25 108.604 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.28 -37.31 74.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.636 0.774 . . . . 73.45 109.529 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.46 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 14.0 m-85 -66.27 -37.92 86.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.3 -0.864 . . . . 74.44 109.746 173.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.518 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.8 t-105 -66.76 -37.78 85.29 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.479 -1.237 . . . . 75.45 109.828 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 72.5 m -62.82 -36.49 83.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.637 0.775 . . . . 74.23 110.571 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.46 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 21.5 m-85 -56.42 -61.79 2.17 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 123.375 0.422 . . . . 73.44 110.192 169.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.32 -31.1 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 O-C-N 124.526 1.141 . . . . 74.31 111.748 -171.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.43 -61.18 2.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.421 0.689 . . . . 64.41 109.796 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.478 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -71.4 -18.99 62.32 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.408 -1.269 . . . . 72.13 112.481 -170.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.491 ' HE1' ' SD ' ' C' ' 776' ' ' MET . 4.3 ppp? -85.79 -57.45 3.04 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 108.418 -0.956 . . . . 71.4 108.418 174.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' C' ' 816' ' ' ARG . 29.5 mt -69.47 -16.14 63.41 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 118.869 0.759 . . . . 74.43 112.998 -174.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 763' ' ' THR . . . . . 0.568 HG21 ' HA ' ' A' ' 73' ' ' LEU . 8.9 t -65.81 -22.57 66.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.135 0.574 . . . . 74.22 111.038 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . 0.487 HD22 ' HB2' ' B' ' 110' ' ' TRP . 4.8 t30 -113.72 -47.72 2.96 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.635 1.174 . . . . 75.12 109.379 174.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' C' ' 761' ' ' MET . 17.1 mt -81.04 59.71 3.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.179 1.392 . . . . 73.35 109.47 -178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' C' ' 816' ' ' ARG . 11.4 pt-20 -80.34 44.01 0.67 Allowed 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.91 1.284 . . . . 75.13 112.938 -171.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 35.5 m 178.6 86.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.44 1.496 . . . . 73.1 109.586 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' C' ' 772' ' ' ARG . 3.2 pp -164.99 154.65 13.16 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.722 0.773 . . . . 74.43 112.478 172.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 24.8 m -66.43 151.3 47.45 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.479 -1.237 . . . . 63.3 111.12 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.519 HD12 HD12 ' C' ' 795' ' ' LEU . 25.4 tp -47.39 -32.12 4.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.838 1.255 . . . . 74.32 112.239 168.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.56 -38.39 74.7 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.336 1.055 . . . . 73.14 112.362 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.501 ' HB2' HD13 ' C' ' 768' ' ' LEU . 0.0 OUTLIER -61.39 -58.05 9.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.966 0.506 . . . . 72.44 110.828 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.486 HD13 HD23 ' C' ' 799' ' ' LEU . 2.2 pp -68.43 -26.92 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.774 -0.648 . . . . 74.02 110.402 -176.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.629 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 73.3 t80 -63.51 -48.01 79.35 Favored 'General case' 0 C--N 1.366 1.302 0 N-CA-C 109.045 -0.724 . . . . 75.13 109.045 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.0 -37.17 86.44 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 123.802 0.689 . . . . 72.11 111.569 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.491 ' SD ' ' HE1' ' C' ' 761' ' ' MET . 86.9 mtp -60.41 -61.6 2.48 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.607 0.567 . . . . 72.33 110.002 173.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.77 -36.54 67.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.657 0.783 . . . . 73.31 111.74 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.455 ' O ' HG11 ' C' ' 781' ' ' VAL . 8.6 tpt180 -68.54 -46.86 68.4 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.154 0.982 . . . . 74.12 110.501 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 779' ' ' MET . . . . . 0.44 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 1.8 tpt -53.01 -57.53 10.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.141 0.576 . . . . 74.44 109.926 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -75.03 -16.43 60.6 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.63 0.604 . . . . 75.23 112.63 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.59 HG12 HG12 ' C' ' 790' ' ' ILE . 3.0 p -82.09 -39.72 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 117.838 0.29 . . . . 64.22 110.338 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.67 -30.79 9.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 116.748 -0.206 . . . . 70.3 111.485 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.8 p -73.22 -19.89 60.98 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.192 0.442 . . . . 74.12 112.192 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -125.12 -173.77 13.78 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 115.58 -0.736 . . . . 72.15 112.018 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.01 6.1 5.91 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.893 2.395 . . . . 72.24 113.113 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.01 100.05 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.516 1.526 . . . . 73.54 112.042 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 6.1 mp 52.9 20.77 1.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.318 1.047 . . . . 75.24 112.332 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.95 -79.32 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.318 1.047 . . . . 74.45 110.095 -167.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -153.78 112.93 3.74 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.493 1.117 . . . . 72.23 108.112 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.59 HG12 HG12 ' C' ' 781' ' ' VAL . 14.5 pt -73.03 163.35 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.237 0.541 . . . . 73.41 110.521 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -126.26 172.82 9.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.105 -0.952 . . . . 73.23 109.747 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.03 -40.03 87.93 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 118.416 -0.802 . . . . 75.32 112.587 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.04 -25.0 59.62 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.777 0.717 . . . . 73.11 111.692 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.82 -46.43 68.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.678 0.751 . . . . 74.41 109.729 171.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.629 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -69.05 -43.12 75.31 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.304 -1.317 . . . . 75.54 109.787 -176.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -65.0 -41.98 94.9 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.319 -1.31 . . . . 65.03 110.13 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.2 -36.4 92.33 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 124.527 1.142 . . . . 70.3 113.27 172.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.518 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 25.4 t80 -68.8 -46.34 68.93 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.11 0.564 . . . . 73.43 110.657 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.486 HD23 HD13 ' C' ' 773' ' ' ILE . 4.1 mm? -66.72 -36.09 81.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.425 0.69 . . . . 74.22 111.053 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 124.016 0.823 . . . . 73.52 109.395 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -56.63 -58.05 9.74 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 124.491 1.12 . . . . 65.44 110.195 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.44 -30.17 70.41 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.734 1.013 . . . . 74.11 113.734 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 64.9 t -72.98 -46.32 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 109.702 -0.481 . . . . 74.32 109.702 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -78.22 -8.97 58.98 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.81 0.444 . . . . 74.51 112.117 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.94 -0.97 57.68 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.1 1.36 . . . . 71.23 110.346 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.51 21.29 12.42 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.412 1.485 . . . . 74.22 111.54 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -101.56 -24.25 14.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.416 1.086 . . . . 75.43 111.822 -168.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.51 143.21 45.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.786 0.834 . . . . 75.12 108.904 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.24 121.98 57.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 108.832 -0.803 . . . . 75.54 108.832 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.42 108.57 21.08 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.465 -1.309 . . . . 75.35 107.465 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.663 ' HB3' HG12 ' C' ' 814' ' ' VAL . 32.4 t -82.19 -152.47 0.1 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 108.896 -0.779 . . . . 71.14 108.896 171.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.74 74.62 1.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 118.925 0.784 . . . . 73.41 111.757 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 68.46 30.28 73.19 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.772 -0.531 . . . . 63.43 111.772 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' C' ' 811' ' ' SER . 3.6 p -145.78 142.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.009 0.924 . . . . 73.34 108.979 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -100.83 151.15 22.06 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.248 0.547 . . . . 74.41 111.818 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.64 ' HA ' HD21 ' C' ' 762' ' ' LEU . 0.3 OUTLIER -162.83 158.42 22.66 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.319 -1.31 . . . . 74.11 109.756 173.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 39.6 mt -91.97 145.05 30.2 Favored Pre-proline 0 N--CA 1.481 1.087 0 O-C-N 122.256 -0.277 . . . . 74.43 111.642 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.369 1.638 0 C-N-CA 122.844 2.363 . . . . 74.2 110.688 166.229 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.659 -0.576 . . . . 73.01 111.659 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 146.73 48.01 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.187 -0.671 . . . . 73.4 109.187 -174.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.599 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 1.9 mp0 -87.81 164.01 16.15 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.818 -0.628 . . . . 73.34 111.776 -168.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.83 150.34 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 107.933 -1.136 . . . . 74.23 107.933 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -110.35 111.37 22.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.113 -1.069 . . . . 74.31 108.113 171.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.547 HG21 HD22 ' B' ' 167' ' ' LEU . 85.2 t -89.59 97.74 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 108.198 -1.038 . . . . 73.13 108.198 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -81.14 99.2 8.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.81 0.844 . . . . 65.43 109.036 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.529 ' HB ' HD12 ' B' ' 169' ' ' LEU . 9.3 t -91.39 118.61 30.68 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.653 -0.703 . . . . 41.11 109.236 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 m -110.04 144.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 115.561 -0.745 . . . . 64.22 109.982 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 29.9 mm-40 -122.85 88.32 2.91 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.31 0.644 . . . . 71.43 110.856 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.538 ' HE3' HG21 ' B' ' 108' ' ' VAL . 51.4 t-105 -93.3 110.43 21.96 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.589 -1.263 . . . . 70.23 107.589 168.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS . 4.6 ttmp? -156.02 139.35 15.72 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.615 0.572 . . . . 74.44 110.385 -172.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -81.46 122.45 27.53 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.531 0.732 . . . . 73.13 110.238 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -94.23 113.66 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 109.089 -0.708 . . . . 72.5 109.089 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -84.05 112.83 20.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.242 -0.651 . . . . 73.45 109.242 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.56 167.75 19.46 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 109.043 -0.725 . . . . 64.24 109.043 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -111.49 142.85 43.23 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.348 0.594 . . . . 72.33 109.781 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.3 177.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.525 1.13 . . . . 74.45 108.897 169.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.25 156.31 76.86 Favored Pre-proline 0 N--CA 1.473 0.685 0 N-CA-C 108.046 -1.094 . . . . 72.54 108.046 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.97 -30.46 91.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 121.909 1.739 . . . . 74.14 112.398 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -72.78 -21.5 60.98 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.974 0.796 . . . . 71.34 111.957 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.38 153.87 41.59 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.789 0.436 . . . . 74.11 110.73 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.6 p -92.92 160.85 14.72 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.354 0.597 . . . . 72.1 110.47 169.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.581 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 17.8 mm -70.34 -25.24 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 114.528 -1.214 . . . . 75.54 110.195 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.82 -23.59 66.34 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.08 0.952 . . . . 72.33 111.473 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 90.6 m-20 -60.23 -59.01 6.09 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.94 0.775 . . . . 54.51 109.33 171.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 30' ' ' ILE . 60.6 t -57.06 -48.04 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 73.3 109.801 -178.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -52.14 -50.4 61.82 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.272 1.429 . . . . 75.34 110.999 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.11 -28.08 61.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.686 0.394 . . . . 74.23 111.824 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 9.7 mmpt? -70.62 -48.47 54.91 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.474 0.31 . . . . 75.24 110.267 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.499 ' HB ' HD13 ' A' ' 36' ' ' ILE . 10.2 pt -70.46 -32.67 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.533 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.98 -35.87 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.804 0.442 . . . . 64.34 111.121 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.12 -51.55 24.41 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.604 0.762 . . . . 74.23 110.51 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -82.67 -56.94 3.55 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.892 -1.049 . . . . 75.11 111.237 -171.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 1.8 mp0 -75.55 -27.89 58.82 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.689 0.396 . . . . 72.31 110.895 -177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.06 58.15 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 123.706 0.629 . . . . 62.12 112.027 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.499 HD13 ' HB ' ' A' ' 30' ' ' ILE . 21.9 pt -89.58 114.83 62.05 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.023 0.529 . . . . 73.41 110.392 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.82 134.61 44.38 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.586 2.19 . . . . 75.43 111.026 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.574 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 2.3 Cg_endo -47.05 -31.88 12.29 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 124.178 3.252 . . . . 72.42 113.128 166.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.13 -46.66 68.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 114.294 -1.321 . . . . 73.11 110.998 172.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -99.1 -3.19 35.21 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.844 1.257 . . . . 74.21 112.07 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.574 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 6.7 tt0 -96.06 108.88 21.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.266 1.427 . . . . 64.42 110.106 -175.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -108.86 74.1 0.89 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.09 -1.448 . . . . 74.31 107.09 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.95 115.93 22.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.262 0.625 . . . . 73.24 109.47 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.726 HG12 ' HG3' ' A' ' 49' ' ' GLN . 42.8 mt -119.94 138.99 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 121.269 0.556 . . . . 75.21 109.59 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 31.4 t80 -131.75 119.0 20.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 73.52 108.819 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.33 22.63 11.01 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.944 0.897 . . . . 65.22 112.745 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 92.34 12.95 57.98 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 116.158 -0.473 . . . . 72.32 113.752 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.09 125.74 27.03 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.248 0.619 . . . . 73.14 109.797 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.726 ' HG3' HG12 ' A' ' 44' ' ' ILE . 22.2 mp0 -74.66 130.37 39.4 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.422 0.689 . . . . 71.23 109.172 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 45' ' ' PHE . 17.7 mt -88.29 106.45 18.23 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.612 -0.722 . . . . 63.22 109.736 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 40.1 mt-10 -71.37 124.5 24.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.849 -1.167 . . . . 74.12 107.849 171.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 6.0 p-10 -63.46 -22.19 66.75 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.83 0.706 . . . . 70.14 112.422 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -2.72 63.86 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 116.03 -0.532 . . . . 73.44 114.274 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD3' ' HB2' ' A' ' 51' ' ' GLU . 2.9 mpt_? -94.72 178.0 5.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.537 0.669 . . . . 72.11 109.544 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 m -112.58 158.0 20.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.322 . . . . 75.32 108.392 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.07 -37.01 85.51 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 72.23 109.46 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.4 -31.58 72.77 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.758 0.823 . . . . 73.41 112.259 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.79 -28.34 65.87 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.026 0.53 . . . . 64.41 111.232 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.39 -2.38 25.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.987 0.515 . . . . 75.24 111.599 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.58 43.49 22.48 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.151 0.907 . . . . 70.43 110.229 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.24 116.32 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.944 -1.025 . . . . 75.12 111.622 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.04 -178.64 7.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.844 -1.071 . . . . 74.51 110.707 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 37.8 ttmt -79.83 138.8 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.216 -0.661 . . . . 74.24 109.216 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 38.2 mt-10 62.89 30.49 16.54 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.016 1.326 . . . . 73.41 112.153 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.529 ' HB2' HG22 ' B' ' 103' ' ' ILE . 74.9 m -56.84 135.04 55.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.555 0.742 . . . . 74.41 110.968 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.41 113.87 27.36 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.743 0.701 . . . . 44.45 111.107 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -118.8 125.6 49.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.922 -1.14 . . . . 64.54 107.922 -176.443 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 tt -97.81 128.5 49.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.503 0.668 . . . . 75.03 109.554 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD21 ' H ' ' B' ' 108' ' ' VAL . 34.3 tp -87.04 115.27 24.31 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.097 -0.956 . . . . 75.12 108.594 170.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mp -100.73 126.09 47.24 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.691 -1.596 . . . . 75.05 106.691 170.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' B' ' 108' ' ' VAL . 4.1 mm? -81.32 170.89 15.46 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.472 -0.566 . . . . 71.14 109.472 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -38.43 96.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.562 0.745 . . . . 75.52 112.604 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 HD21 ' HA ' ' C' ' 760' ' ' ALA . 3.3 tm? -67.82 -57.2 6.69 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.361 -1.718 . . . . 71.33 106.361 166.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 113.172 -1.831 . . . . 74.13 107.703 172.354 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 113.209 0.044 . . . . 72.51 113.209 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.58 156.27 17.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.132 0.573 . . . . 73.31 110.147 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.446 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 12.4 mm-40 -85.26 160.6 19.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.822 -0.436 . . . . 72.42 109.822 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 65' ' ' SER . 30.4 pt -147.17 149.71 15.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.001 0 C-N-CA 123.85 0.86 . . . . 71.13 108.964 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -112.33 102.67 10.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.343 1.057 . . . . 75.52 108.195 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.21 101.06 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 109.257 -0.646 . . . . 72.05 109.257 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.84 96.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.777 0.831 . . . . 74.32 109.187 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.415 ' HG1' ' HG2' ' A' ' 34' ' ' GLU . 5.9 t -92.09 144.36 25.52 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 123.573 0.749 . . . . 74.13 109.832 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.59 ' H ' HD21 ' A' ' 69' ' ' LEU . 1.8 t -120.17 140.98 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.177 -0.675 . . . . 73.03 109.177 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 71.5 mm-40 -132.34 159.32 39.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.45 0.7 . . . . 75.35 110.79 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -136.54 134.05 37.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.42 -1.326 . . . . 74.42 107.42 171.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.511 ' HB2' HG23 ' A' ' 7' ' ' THR . 75.4 mmtt -140.24 149.58 43.05 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.406 -1.331 . . . . 73.21 107.406 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 63.6 m -119.64 132.9 55.8 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.572 -0.529 . . . . 75.44 109.572 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.1 mm -110.59 125.0 67.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 107.134 -1.432 . . . . 64.34 107.134 176.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.3 m -103.47 127.23 50.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.833 0.742 . . . . 61.51 109.67 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.99 170.0 16.29 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.101 -1.074 . . . . 73.41 108.101 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.0 tt0 -124.01 145.28 49.31 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.201 -0.666 . . . . 75.41 109.201 170.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 p -134.38 171.08 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 122.93 0.492 . . . . 75.2 110.244 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.02 151.56 44.97 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.805 0.842 . . . . 72.52 109.181 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.36 -29.99 45.22 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.251 1.967 . . . . 73.4 112.458 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.4 m -78.06 -14.09 59.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.991 0.916 . . . . 73.53 112.618 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.85 159.73 30.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.888 0.375 . . . . 74.51 109.99 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.6 p -93.39 160.89 14.61 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.878 0.871 . . . . 73.34 110.683 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.499 HG22 ' HB3' ' B' ' 150' ' ' LEU . 39.9 mm -65.63 -28.04 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 114.636 -1.166 . . . . 74.33 110.729 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 17.1 pt-20 -59.74 -31.91 70.07 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.325 0.65 . . . . 60.4 111.316 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -63.17 -46.66 86.09 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.1 0.96 . . . . 64.4 110.041 173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.86 -48.13 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.869 0.867 . . . . 64.24 110.695 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.421 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.1 OUTLIER -68.8 -34.92 76.34 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.768 -0.196 . . . . 74.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.38 89.27 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.62 0.368 . . . . 72.42 111.238 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' B' ' 133' ' ' LYS . 17.1 ptpt -73.35 -41.45 63.43 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-O 118.567 -0.73 . . . . 73.41 111.289 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.18 -41.61 93.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 CA-C-N 119.156 0.889 . . . . 75.01 110.011 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.11 -43.05 86.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.901 0.751 . . . . 72.2 111.045 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.37 -50.99 65.54 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.942 0.897 . . . . 64.42 111.354 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 73.1 mmtt -66.46 -62.8 1.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.41 -0.814 . . . . 74.32 111.258 -173.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.511 ' HB2' HG12 ' B' ' 136' ' ' ILE . 37.5 mt-10 -80.5 -46.83 15.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.582 0.23 . . . . 71.34 111.61 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.7 35.52 2.8 Favored Glycine 0 N--CA 1.476 1.328 0 N-CA-C 110.914 -0.874 . . . . 72.05 110.914 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.511 HG12 ' HB2' ' B' ' 134' ' ' GLU . 1.5 pt -105.93 100.29 27.23 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 125.488 1.515 . . . . 71.03 110.345 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.473 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 28.0 Cg_endo -64.54 117.6 4.65 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.552 2.168 . . . . 75.04 111.166 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.421 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 33.8 Cg_endo -61.8 -20.7 70.16 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.289 2.659 . . . . 74.1 112.79 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.25 -47.17 87.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.263 -1.335 . . . . 72.31 109.518 172.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.473 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -97.14 -3.29 41.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.882 1.273 . . . . 74.41 110.843 -177.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -128.42 101.52 6.24 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.139 -0.689 . . . . 74.2 109.139 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.57 112.21 16.6 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.264 -0.643 . . . . 72.34 109.264 177.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.68 ' HB3' HD13 ' B' ' 167' ' ' LEU . 5.5 mp -75.82 139.7 41.89 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.577 -0.527 . . . . 74.34 109.577 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 148' ' ' LYS . 17.5 t70 -123.31 114.04 19.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.607 0.763 . . . . 72.4 108.954 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.514 ' HB2' HD22 ' B' ' 150' ' ' LEU . 6.0 t80 -109.19 97.92 7.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.619 -0.882 . . . . 73.11 108.619 -171.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 47.52 32.79 2.53 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.663 0.785 . . . . 63.21 112.361 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.56 17.59 38.47 Favored Glycine 0 C--N 1.351 1.362 0 N-CA-C 114.193 0.437 . . . . 53.14 114.193 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 144' ' ' ASP . 41.3 mmtm -107.56 173.71 6.2 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.813 0.806 . . . . 74.02 109.861 172.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -133.82 127.53 32.84 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.582 -1.636 . . . . 71.23 106.582 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' B' ' 145' ' ' PHE . 1.5 mm? -88.41 137.78 32.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.637 0.775 . . . . 71.04 110.3 -167.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.536 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 5.6 mp0 -89.32 126.97 35.74 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.761 -1.199 . . . . 75.3 107.761 166.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -62.21 -35.83 80.07 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.064 0.459 . . . . 65.43 110.818 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.27 21.05 13.75 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.898 -0.592 . . . . 72.11 113.239 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.536 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 13.0 tpt180 -104.95 174.14 6.01 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.888 -1.153 . . . . 73.44 107.888 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 34.8 m -116.72 150.1 38.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.452 0.701 . . . . 74.54 110.181 -174.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.557 HD13 HG13 ' B' ' 161' ' ' ILE . 4.1 mm? -58.91 -42.54 89.88 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.601 0.76 . . . . 74.23 111.163 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -58.07 -35.21 71.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.408 0.683 . . . . 72.05 112.255 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.35 -29.51 67.72 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.339 0.656 . . . . 64.42 111.39 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -96.9 -4.88 39.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 119.095 -0.479 . . . . 74.2 111.184 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.97 58.11 5.66 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 122.202 1.001 . . . . 74.25 110.276 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.557 HG13 HD13 ' B' ' 156' ' ' LEU . 22.0 mm -66.44 114.66 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 114.002 -1.454 . . . . 75.3 111.114 -172.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -81.71 148.56 28.91 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 109.199 -0.667 . . . . 73.24 109.199 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -57.66 131.08 49.18 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.313 -0.625 . . . . 74.34 109.313 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 73.63 22.84 2.51 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.391 1.057 . . . . 73.33 111.504 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 75.5 m -51.12 127.26 18.69 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 111.669 0.248 . . . . 73.31 111.669 166.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.17 140.15 31.93 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.39 0.614 . . . . 74.3 110.174 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' B' ' 143' ' ' LEU . 23.0 tp -145.35 107.44 4.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.101 0.96 . . . . 72.53 108.81 -170.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.01 124.83 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.535 0.683 . . . . 72.41 110.715 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.529 HD12 ' HB ' ' A' ' 7' ' ' THR . 79.4 mt -72.64 107.18 4.99 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.381 -0.827 . . . . 75.2 110.598 172.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.3 mt -95.79 156.54 16.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.215 -1.031 . . . . 74.41 108.215 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.48 173.5 10.26 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.185 0.594 . . . . 73.51 109.903 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.485 1.313 0 C-N-CA 124.349 1.059 . . . . 64.42 112.398 172.499 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 112.504 0.557 . . . . 71.2 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.36 -51.53 67.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.437 0.695 . . . . 72.34 111.077 -170.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -53.63 -30.91 45.14 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.456 0.702 . . . . 74.53 112.555 -173.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.55 -62.92 1.51 Allowed 'General case' 0 C--N 1.345 0.375 0 O-C-N 124.235 0.959 . . . . 75.44 110.466 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.79 -28.12 65.47 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.263 -0.88 . . . . 74.04 111.517 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.49 -46.34 73.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.525 -0.546 . . . . 74.55 109.525 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -70.37 -37.23 74.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.204 -0.907 . . . . 74.32 110.604 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.8 -34.64 77.17 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.084 0.553 . . . . 63.11 111.719 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.87 -40.58 72.2 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.045 -1.095 . . . . 72.23 108.045 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.22 -45.96 91.0 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.243 0.964 . . . . 75.53 110.836 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.517 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 16.4 m-30 -57.74 -47.66 81.83 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.626 0.726 . . . . 62.33 109.814 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -66.95 -26.67 66.95 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.181 -1.372 . . . . 74.52 111.003 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.2 m -67.75 -40.78 84.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.113 -0.699 . . . . 74.24 109.113 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.517 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 35.0 m-85 -59.45 -57.71 11.78 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 120.655 0.264 . . . . 74.32 110.958 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.64 HD11 HD12 ' C' ' 777' ' ' LEU . 20.3 mt -66.19 -43.32 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.273 0.983 . . . . 74.34 110.634 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.75 -48.9 70.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.033 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 73' ' ' LEU . . . -69.22 -32.24 71.36 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.616 0.598 . . . . 71.22 112.616 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 25.5 ptm -72.37 -44.17 62.94 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.652 -0.87 . . . . 74.1 108.652 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.617 HD22 ' HG ' ' C' ' 768' ' ' LEU . 39.1 mt -71.1 -10.62 60.07 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 75.33 112.812 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 17.5 m -77.23 -17.0 58.8 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.222 1.009 . . . . 71.22 111.693 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -119.82 -53.15 2.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.21 0.604 . . . . 74.14 110.623 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -99.09 83.37 2.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 107.664 -1.236 . . . . 74.03 107.664 172.256 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' C' ' 762' ' ' LEU . 38.7 mp0 -71.62 66.39 0.51 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 116.123 -0.49 . . . . 75.23 111.425 175.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 11.4 m 167.98 139.79 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.367 2.667 . . . . 62.23 108.398 167.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.617 ' HG ' HD22 ' C' ' 762' ' ' LEU . 0.8 OUTLIER -158.14 143.36 16.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.889 -1.051 . . . . 73.41 109.388 172.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 15.8 m -80.96 145.11 31.39 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.447 -1.316 . . . . 74.22 107.447 167.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.465 ' O ' HD12 ' C' ' 770' ' ' LEU . 5.1 tp -59.48 -28.58 67.14 Favored 'General case' 0 C--O 1.204 -1.337 0 O-C-N 124.017 0.823 . . . . 71.42 112.371 -170.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.79 -39.4 65.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 119.348 0.976 . . . . 74.13 111.698 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.438 ' NH1' ' HA ' ' C' ' 768' ' ' LEU . 69.8 mtt180 -66.61 -61.08 2.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.04 0.936 . . . . 72.13 110.13 -175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -34.24 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 113.841 -1.527 . . . . 72.44 110.834 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -66.95 -45.72 76.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.435 0.694 . . . . 75.12 111.252 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.776 0.43 . . . . 74.25 110.324 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 33.1 mtm -65.13 -55.88 16.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.65 -0.705 . . . . 74.5 110.626 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.64 HD12 HD11 ' C' ' 758' ' ' ILE . 4.9 mt -55.45 -35.71 65.75 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.041 0.536 . . . . 72.3 111.075 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -59.09 -55.96 28.38 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.283 1.033 . . . . 71.51 110.584 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -58.23 -46.64 85.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.931 0.77 . . . . 75.12 110.733 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -65.21 -39.15 92.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.098 0.559 . . . . 74.44 112.226 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.81 -31.31 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.75 0.25 . . . . 63.31 111.329 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.24 -27.05 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 112.145 0.424 . . . . 74.33 112.145 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.3 p -66.27 -23.83 66.47 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 112.239 0.459 . . . . 72.12 112.239 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -127.41 172.72 18.71 Favored Glycine 0 N--CA 1.462 0.372 0 N-CA-C 110.767 -0.933 . . . . 73.22 110.767 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.31 -32.87 97.51 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.375 2.05 . . . . 71.04 111.34 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 37.04 -89.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.944 2.098 . . . . 72.01 114.839 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.83 24.81 2.83 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.985 0.914 . . . . 74.44 110.984 -171.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.74 33.44 20.16 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.194 0.998 . . . . 74.4 111.603 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 65.48 112.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.684 1.593 . . . . 72.31 111.356 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.407 HD13 ' HB3' ' C' ' 777' ' ' LEU . 35.8 pt -72.86 153.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 121.499 0.666 . . . . 74.12 110.151 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.92 176.28 5.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.961 -1.018 . . . . 75.11 109.464 -173.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.87 -53.0 61.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.558 0.743 . . . . 75.01 111.252 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.25 -25.07 66.71 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.882 0.31 . . . . 72.41 111.305 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.3 10.76 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 109.082 -0.71 . . . . 73.32 109.082 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' C' ' 777' ' ' LEU . 2.7 tt -65.76 -51.1 61.88 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.318 1.447 . . . . 73.41 110.497 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.32 -38.82 77.89 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.853 0.861 . . . . 74.35 110.555 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.48 80.82 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.796 0.685 . . . . 72.02 113.549 170.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.56 -45.97 90.51 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.722 0.809 . . . . 73.45 110.312 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 57.8 mt -67.55 -45.94 74.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.205 -1.361 . . . . 54.32 112.493 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -28.03 66.88 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.901 -0.407 . . . . 65.01 109.901 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.12 64.7 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 108.697 -0.853 . . . . 72.41 108.697 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -57.13 -37.01 71.39 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.452 0.47 . . . . 71.31 112.249 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 93.9 t -65.37 -43.35 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 121.047 0.451 . . . . 75.33 110.759 174.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -79.92 -8.08 59.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.002 0.921 . . . . 75.31 112.276 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -88.05 -5.56 58.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.713 1.205 . . . . 71.1 109.715 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.98 12.73 7.12 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.679 1.592 . . . . 74.2 111.561 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -78.93 -37.44 39.77 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.389 1.075 . . . . 75.32 110.32 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 45.4 tp -127.49 138.85 53.05 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 72.41 109.495 -167.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.03 135.23 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.086 0.954 . . . . 72.55 109.695 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -93.11 116.06 28.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.257 -1.016 . . . . 74.01 108.257 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 24.5 t -89.5 -139.71 0.13 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.963 -0.754 . . . . 75.03 108.963 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.81 71.87 2.01 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.678 0.672 . . . . 72.21 110.812 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.99 19.25 78.9 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.249 -0.887 . . . . 72.3 113.741 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.82 165.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.647 0.779 . . . . 72.44 109.942 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.83 140.62 37.41 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.241 -0.651 . . . . 63.54 109.241 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.588 ' HA ' HD21 ' C' ' 762' ' ' LEU . 0.1 OUTLIER -151.33 132.21 14.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.728 0.811 . . . . 73.3 109.469 178.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.91 135.14 70.99 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 109.258 -0.645 . . . . 73.31 109.258 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--N 1.379 2.177 0 C-N-CA 123.419 2.746 . . . . 75.44 111.794 170.472 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 120.059 -0.3 . . . . 74.3 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -105.46 145.59 30.66 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.098 0.559 . . . . 75.33 110.307 -174.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.4 OUTLIER -101.07 119.87 39.37 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.38 -0.6 . . . . 75.41 109.38 -174.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 pt -117.25 161.96 15.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-O 121.162 0.506 . . . . 74.11 110.229 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 11.8 m-85 -112.46 118.82 36.22 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.341 -0.985 . . . . 73.34 108.341 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.448 HG23 HD23 ' B' ' 115' ' ' LEU . 52.9 t -96.37 91.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 106.95 -1.5 . . . . 73.4 106.95 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' B' ' 168' ' ' ILE . 4.8 m-20 -80.86 100.25 8.74 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.046 -1.434 . . . . 42.34 109.929 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.425 ' HB ' HD23 ' B' ' 169' ' ' LEU . 5.5 t -99.38 112.39 24.58 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.394 0.616 . . . . 72.24 109.631 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 110' ' ' TRP . 8.4 p -94.35 127.53 46.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 108.99 -0.744 . . . . 75.42 108.99 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 85.7 mm-40 -108.59 81.19 1.43 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.473 -1.306 . . . . 70.13 107.473 176.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.711 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 7.3 t-105 -112.42 102.17 10.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 107.15 -1.426 . . . . 72.33 107.15 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.597 ' NZ ' ' HB2' ' B' ' 171' ' ' LEU . 34.5 mttt -163.57 157.82 19.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.853 0.861 . . . . 74.13 112.039 -173.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.445 HG22 ' HB3' ' B' ' 104' ' ' PHE . 59.6 m -75.53 120.3 20.76 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.76 -1.564 . . . . 64.43 111.336 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.15 113.8 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.796 -1.187 . . . . 74.33 107.796 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.448 HG22 ' CD1' ' B' ' 104' ' ' PHE . 24.5 p -93.63 101.61 13.77 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.883 0.373 . . . . 73.23 110.126 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD22 HG21 ' B' ' 105' ' ' VAL . 1.3 pt? -120.61 171.27 8.69 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 115.679 -0.691 . . . . 65.15 109.249 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 38.5 tt0 -124.78 127.46 47.24 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.17 -1.048 . . . . 74.44 108.17 171.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.452 HG11 ' HE3' ' B' ' 101' ' ' MET . 13.6 p -122.94 167.94 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.492 0.717 . . . . 73.42 109.217 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.24 149.88 36.43 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 109.862 -0.421 . . . . 75.33 109.862 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.83 -36.07 92.11 Favored 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.601 2.201 . . . . 74.35 111.685 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -79.46 -11.36 59.91 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.433 1.083 . . . . 72.12 113.187 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 164.4 24.38 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.898 0.317 . . . . 72.54 110.353 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.8 p -90.43 161.5 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 63.33 111.207 173.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.542 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.9 mm -65.07 -25.22 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 115.091 -0.959 . . . . 72.42 110.781 175.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -62.44 -19.09 63.14 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 122.956 0.503 . . . . 73.44 111.455 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.96 -41.78 70.64 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.019 0.528 . . . . 73.42 110.853 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.56 -41.76 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.129 -0.693 . . . . 73.24 109.129 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -52.08 -51.19 59.27 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.791 0.837 . . . . 74.43 111.125 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.11 82.51 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 114.79 -1.095 . . . . 72.21 111.036 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -75.54 -34.93 60.79 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 123.598 0.561 . . . . 73.13 112.463 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' A' ' 36' ' ' ILE . 21.6 pt -71.57 -33.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.0 0.818 . . . . 75.54 109.65 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.46 -35.19 77.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.35 1.06 . . . . 74.54 110.94 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.1 -44.08 49.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.236 1.014 . . . . 65.44 111.871 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.56 -52.09 6.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.259 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -106.26 -8.99 17.03 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 112.153 0.427 . . . . 72.42 112.153 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 10.58 84.61 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 119.82 -0.434 . . . . 75.44 114.137 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD11 ' HB ' ' A' ' 30' ' ' ILE . 83.0 mt -63.59 126.59 89.93 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 124.091 0.957 . . . . 75.21 111.5 -172.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.82 122.96 10.41 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.814 2.343 . . . . 72.41 112.484 174.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -48.22 -34.27 23.89 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 124.278 3.318 . . . . 70.4 113.434 165.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.3 -36.08 72.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.73 -1.123 . . . . 73.54 111.618 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.487 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 18.5 mt-30 -98.8 -0.29 42.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.016 0.527 . . . . 71.52 112.358 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.11 122.55 24.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.352 1.061 . . . . 72.42 110.78 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.587 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 26.8 mtp-105 -125.58 77.98 1.7 Allowed 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.694 -1.595 . . . . 72.13 106.694 167.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 117.8 20.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 71.41 109.843 -175.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.417 HG22 ' CE1' ' C' ' 757' ' ' TYR . 8.7 mm -110.04 139.36 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 108.877 -0.786 . . . . 74.34 108.877 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD1' ' HG ' ' A' ' 67' ' ' LEU . 86.1 t80 -121.43 100.59 7.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.685 1.194 . . . . 74.22 108.933 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.45 26.88 13.15 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.592 0.757 . . . . 64.52 112.374 174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 96.55 11.91 52.42 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.807 -0.633 . . . . 72.32 114.411 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -126.55 127.06 44.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.359 0.664 . . . . 74.41 110.293 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.424 HE22 HD13 ' C' ' 753' ' ' LEU . 24.5 mp0 -78.95 132.87 36.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.717 0.807 . . . . 72.4 110.686 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HB3' HG23 ' A' ' 23' ' ' ILE . 36.3 mt -94.78 117.33 29.96 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.729 0.812 . . . . 64.41 111.44 -175.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -81.85 128.73 34.33 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.9 -1.148 . . . . 73.15 107.9 165.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.0 p-10 -63.85 -24.09 67.61 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.357 0.663 . . . . 73.32 112.386 -172.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.75 76.16 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 115.652 -0.704 . . . . 73.22 114.028 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -81.19 171.99 14.2 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.226 0.61 . . . . 75.13 109.835 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.3 m -98.7 160.14 14.47 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.848 0.859 . . . . 75.54 109.498 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 61' ' ' ILE . 3.9 mm? -61.05 -48.99 79.18 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.506 -0.553 . . . . 75.32 109.506 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 t -66.32 -21.94 66.27 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.226 -0.897 . . . . 74.43 112.142 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' THR . 11.7 t70 -54.89 -38.33 67.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.127 0.571 . . . . 70.11 110.178 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' HB2' HG13 ' A' ' 61' ' ' ILE . 99.1 m-85 -99.04 -0.5 41.8 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 74.21 111.57 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.86 41.1 21.93 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.668 0.747 . . . . 74.13 110.124 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.534 HG13 ' HB2' ' A' ' 59' ' ' TYR . 39.1 mt -64.16 111.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-N 115.604 -0.725 . . . . 73.33 109.643 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.44 -173.81 2.87 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.509 -0.768 . . . . 64.32 110.897 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.571 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.41 147.26 40.1 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.681 -0.69 . . . . 74.32 110.812 176.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.26 26.93 12.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.319 1.447 . . . . 75.32 112.937 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -71.34 134.41 46.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.121 0.568 . . . . 64.55 110.31 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' C' ' 779' ' ' MET . . . -98.22 113.38 25.29 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.286 0.565 . . . . 74.34 110.498 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' HD1' ' A' ' 45' ' ' PHE . 2.4 mp -104.12 153.12 21.3 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.916 1.287 . . . . 74.31 108.286 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.452 HG21 ' HZ ' ' C' ' 780' ' ' PHE . 8.6 tt -124.94 134.97 65.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.146 -0.687 . . . . 73.4 109.146 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 ' H ' ' B' ' 108' ' ' VAL . 26.7 tp -96.22 118.28 32.46 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.465 -0.789 . . . . 74.31 109.352 172.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.587 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 6.9 mp -96.71 136.5 37.16 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.998 -1.482 . . . . 75.22 106.998 166.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.43 158.5 20.2 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.394 -0.965 . . . . 72.21 108.394 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 40' ' ' GLN . 82.9 m -35.75 110.78 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.782 0.833 . . . . 53.11 112.758 170.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.418 ' HG ' ' HG3' ' A' ' 74' ' ' ARG . 21.7 tp -69.72 -53.5 18.17 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.267 -1.333 . . . . 74.44 110.936 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' HG ' ' A' ' 73' ' ' LEU . 44.0 mtm180 . . . . . 0 C--O 1.248 0.996 0 N-CA-C 109.37 -0.604 . . . . 74.44 109.37 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 112.876 -0.09 . . . . 74.24 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.452 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -116.5 145.52 43.25 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.678 0.791 . . . . 71.45 109.228 -178.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -87.05 155.51 20.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.187 0.595 . . . . 71.01 109.529 -177.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 29.2 pt -149.13 152.45 12.03 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 CA-C-O 121.292 0.567 . . . . 74.4 109.845 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.448 ' CD1' HG22 ' A' ' 14' ' ' THR . 10.0 m-85 -111.72 99.57 8.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.432 -1.258 . . . . 74.02 107.605 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.442 HG21 HD22 ' A' ' 15' ' ' LEU . 48.2 t -100.46 104.43 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 N-CA-C 108.828 -0.804 . . . . 72.33 108.828 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 11.2 t70 -80.22 99.62 7.91 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.192 -1.04 . . . . 72.3 108.192 -175.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 63.1 p -100.06 141.18 33.23 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.874 0.87 . . . . 75.12 111.369 -171.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.711 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 4.0 p -119.96 132.06 70.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 CA-C-O 121.74 0.781 . . . . 75.44 111.926 170.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -135.62 97.53 3.69 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.261 -1.336 . . . . 75.41 107.467 166.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' VAL . 10.9 t-105 -73.68 130.34 39.8 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.369 -1.345 . . . . 73.44 107.369 171.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.562 ' HB3' ' HZ2' ' B' ' 111' ' ' LYS . 7.0 mtpm? -132.0 155.47 47.95 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.576 1.151 . . . . 75.24 108.643 -174.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 30.4 m -135.29 123.2 22.58 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.952 0.501 . . . . 74.42 110.596 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 38.4 mt -95.69 152.36 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 107.605 -1.257 . . . . 62.41 107.605 168.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -135.6 113.54 11.16 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.401 -0.962 . . . . 73.44 108.401 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.626 HD12 ' HD2' ' B' ' 129' ' ' LYS . 0.9 OUTLIER -128.64 167.8 16.67 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.174 -0.921 . . . . 74.22 108.93 -177.136 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 31.3 tt0 -108.97 147.19 32.64 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.861 -1.163 . . . . 74.21 107.861 163.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.21 163.88 7.29 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 N-CA-C 109.399 -0.593 . . . . 74.41 109.399 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -108.12 152.71 41.93 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 109.202 -0.666 . . . . 73.42 109.202 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' B' ' 157' ' ' SER . 43.8 Cg_endo -65.15 -34.65 45.2 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.372 2.048 . . . . 70.43 111.465 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -74.78 -15.88 60.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.912 0.885 . . . . 74.54 111.967 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.08 146.21 49.41 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 109.642 -0.503 . . . . 73.32 109.642 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -84.69 168.15 15.52 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 123.754 0.659 . . . . 73.33 110.697 167.33 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.431 HG12 ' O ' ' B' ' 154' ' ' ARG . 37.4 mm -73.25 -17.13 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.883 -0.598 . . . . 74.33 109.632 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.463 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -56.21 -34.73 66.57 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 123.331 0.652 . . . . 71.23 110.714 174.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.54 -42.89 98.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.309 0.644 . . . . 72.12 110.584 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.39 -45.45 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.513 -0.767 . . . . 74.41 110.568 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -67.52 -36.3 80.76 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.0 0.429 . . . . 74.54 111.026 177.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.473 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -65.84 -41.75 91.35 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.79 -0.641 . . . . 72.34 111.054 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.626 ' HD2' HD12 ' B' ' 115' ' ' LEU . 18.0 ptpt -74.92 -40.84 60.62 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.987 -0.53 . . . . 73.45 110.889 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.458 HG12 ' HA ' ' B' ' 127' ' ' LYS . 32.1 pt -66.96 -26.28 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 119.026 0.83 . . . . 74.44 110.706 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -73.73 -42.74 60.74 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 122.122 -0.361 . . . . 74.04 110.834 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.69 -35.4 80.92 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.408 0.683 . . . . 74.04 111.409 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 66.3 mmtt -96.67 -50.52 4.67 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.21 -0.904 . . . . 74.52 111.127 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -101.94 -24.43 14.01 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.797 0.439 . . . . 75.13 111.873 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 88.68 15.43 59.84 Favored Glycine 0 N--CA 1.479 1.526 0 CA-C-O 120.118 -0.268 . . . . 71.14 113.591 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.434 HD12 HD22 ' B' ' 169' ' ' LEU . 74.0 mt -74.64 121.56 85.53 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.657 0.783 . . . . 75.43 110.204 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.2 126.38 11.06 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.217 2.611 . . . . 72.14 112.229 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.581 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.2 Cg_endo -52.86 -47.27 28.33 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 123.951 3.101 . . . . 74.25 113.969 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -26.58 66.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.35 111.153 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -109.52 15.96 22.57 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.591 0.757 . . . . 75.05 111.242 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.522 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -115.57 136.91 52.6 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.866 -0.791 . . . . 73.54 108.866 171.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -117.14 85.41 2.32 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.319 1.047 . . . . 75.14 108.195 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.522 ' HB2' HE22 ' B' ' 141' ' ' GLN . 0.9 OUTLIER -74.36 110.08 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.734 -0.839 . . . . 73.23 108.734 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . 0.553 ' HB3' HG22 ' B' ' 168' ' ' ILE . 20.4 t70 -99.14 138.78 35.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.285 0.564 . . . . 73.15 110.086 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -133.84 106.38 7.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.727 1.211 . . . . 70.14 108.83 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.49 27.72 16.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.055 0.942 . . . . 71.42 112.479 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.68 3.47 64.4 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 116.389 -0.369 . . . . 72.14 113.133 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -127.71 117.75 22.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.827 0.851 . . . . 75.11 110.215 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 69.2 mt-30 -68.61 150.7 47.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.37 0.668 . . . . 73.52 111.147 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.589 HD11 HD21 ' B' ' 167' ' ' LEU . 88.7 mt -93.92 112.33 24.16 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.138 0.975 . . . . 75.11 111.25 -170.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 38.6 mt-10 -65.93 125.62 25.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.652 0.781 . . . . 75.32 109.393 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.58 -31.26 64.06 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.169 0.988 . . . . 75.22 112.442 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -96.18 21.43 45.34 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.303 -0.408 . . . . 74.34 113.847 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.4 OUTLIER -111.35 158.71 18.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.81 0.844 . . . . 75.54 109.381 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 14.5 p -94.62 159.76 14.93 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.751 0.705 . . . . 74.11 111.304 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.21 -38.66 92.03 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 124.071 0.857 . . . . 70.42 109.264 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 157' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' B' ' 119' ' ' PRO . 12.9 t -65.7 -31.37 72.34 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.244 0.617 . . . . 64.34 111.822 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.0 -30.47 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.393 0.677 . . . . 74.45 110.965 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.93 -9.2 26.63 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.19 0.596 . . . . 74.32 110.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.4 t30 54.5 57.73 5.53 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.979 1.312 . . . . 71.51 110.359 -173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.11 116.67 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 114.238 -1.346 . . . . 73.33 110.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . 0.408 ' HG3' ' HB2' ' B' ' 165' ' ' SER . 9.5 pt20 -85.29 155.15 21.48 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.373 0.606 . . . . 74.32 110.816 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.468 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 14.2 ptmm? -63.58 133.02 53.02 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.163 -0.926 . . . . 74.54 109.625 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 67.14 22.64 9.77 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.231 -1.349 . . . . 55.41 112.051 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.408 ' HB2' ' HG3' ' B' ' 162' ' ' GLN . 10.9 t -64.94 142.9 58.28 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 121.071 -0.252 . . . . 75.14 110.628 170.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.6 126.18 45.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.019 -0.734 . . . . 72.23 109.019 174.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.589 HD21 HD11 ' B' ' 150' ' ' LEU . 3.5 mp -122.7 124.37 43.25 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.516 -1.291 . . . . 73.44 107.516 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' B' ' 144' ' ' ASP . 9.4 tt -93.64 100.65 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 122.459 1.123 . . . . 71.15 110.324 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 141' ' ' GLN . 52.4 tp -77.31 106.87 9.32 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.995 -1.457 . . . . 74.41 109.863 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.36 162.73 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.421 -1.263 . . . . 75.11 109.028 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.597 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . 4.2 mp -87.81 176.83 7.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.36 -0.978 . . . . 73.44 108.36 170.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.559 1.311 0 C-N-CA 124.963 1.305 . . . . 62.41 113.024 175.706 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.548 0.213 . . . . 70.43 110.735 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -82.57 -47.8 11.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 122.86 0.464 . . . . 73.35 111.345 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.515 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 19.1 pt20 -57.07 -46.39 82.53 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 123.715 0.634 . . . . 73.34 111.716 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 16.0 ptpt -60.02 -44.38 94.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.764 0.665 . . . . 72.12 110.826 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.273 0.629 . . . . 70.15 111.238 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.17 -40.5 85.79 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.771 0.669 . . . . 74.41 109.83 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 24.8 mm-40 -69.51 -44.15 71.63 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.083 -0.962 . . . . 65.25 111.678 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 45.0 mt -69.35 -34.58 74.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.662 0.385 . . . . 73.41 110.742 -177.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.62 -37.01 68.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.848 -0.797 . . . . 73.13 108.848 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . 0.424 HD13 HE22 ' A' ' 49' ' ' GLN . 0.5 OUTLIER -67.21 -38.5 85.41 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 109.695 -0.483 . . . . 73.53 109.695 175.317 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.439 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 17.6 m-30 -63.98 -39.89 95.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.794 0.838 . . . . 72.22 108.847 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.431 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 17.1 t-105 -66.94 -36.73 82.9 Favored 'General case' 0 C--O 1.195 -1.808 0 CA-C-N 114.456 -1.247 . . . . 74.13 110.503 173.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -62.32 -37.45 85.66 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.768 0.713 . . . . 60.32 110.623 176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.584 ' HA ' HD22 ' A' ' 70' ' ' LEU . 22.4 m-85 -65.65 -60.76 2.58 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.865 -0.607 . . . . 75.22 109.964 177.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.401 HG21 HG22 ' C' ' 773' ' ' ILE . 55.9 mt -64.08 -36.18 76.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 124.252 0.97 . . . . 74.05 111.042 -174.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.21 -53.86 26.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.583 0.753 . . . . 75.44 109.68 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.41 65.71 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.243 0.617 . . . . 64.13 111.283 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.804 ' HE3' HD21 ' C' ' 768' ' ' LEU . 27.0 ttt -70.38 -44.65 67.63 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.148 -0.933 . . . . 65.34 109.931 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.781 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 78.8 mt -74.68 -19.42 60.27 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.343 1.057 . . . . 74.53 111.665 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 63.2 m -70.95 -25.06 62.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.196 0.998 . . . . 73.13 111.101 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -109.0 -56.59 2.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.397 -0.964 . . . . 72.41 108.397 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.31 78.92 6.96 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.339 1.456 . . . . 73.32 108.222 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.99 43.31 0.43 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 112.121 0.415 . . . . 65.41 112.121 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 14.8 p 173.33 118.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.982 1.713 . . . . 72.44 109.649 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.804 HD21 ' HE3' ' C' ' 761' ' ' MET . 2.6 pp -164.82 161.54 20.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.27 0.628 . . . . 73.34 111.354 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 13.3 t -86.89 155.01 20.41 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 122.961 0.504 . . . . 71.43 109.779 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.22 -30.61 60.32 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 124.273 1.029 . . . . 74.34 110.197 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.3 -59.74 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.498 1.119 . . . . 75.13 112.402 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.524 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 99.6 mtt180 -52.25 -52.5 52.16 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.983 0.913 . . . . 73.32 111.746 -174.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.453 HG21 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -74.04 -29.9 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.718 -1.128 . . . . 73.42 111.544 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.415 ' HH ' HD21 ' C' ' 792' ' ' LEU . 89.2 t80 -68.17 -41.32 81.68 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 109.423 -0.584 . . . . 73.54 109.423 173.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.03 -49.65 73.75 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.816 0.698 . . . . 73.11 110.251 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.443 ' HG2' ' HA ' ' C' ' 773' ' ' ILE . 19.1 ptp -65.99 -46.43 78.06 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 115.908 -0.587 . . . . 73.4 110.613 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.523 HD22 HD23 ' C' ' 795' ' ' LEU . 6.9 mp -59.44 -37.04 77.11 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 118.052 0.387 . . . . 75.43 111.586 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.14 -37.1 80.69 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.595 -0.729 . . . . 73.03 110.356 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 779' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 66' ' ' ALA . 61.6 ttp -61.99 -51.29 68.65 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.739 -0.664 . . . . 75.3 110.754 174.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . 0.452 ' HZ ' HG21 ' A' ' 68' ' ' ILE . 37.8 m-85 -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.978 0.511 . . . . 75.14 111.281 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.537 HG12 HG12 ' C' ' 790' ' ' ILE . 2.7 p -75.19 -36.65 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.173 -0.467 . . . . 74.15 111.113 -177.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.9 p -74.54 -33.91 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.131 0.423 . . . . 63.12 111.454 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.7 p -69.53 -21.87 63.62 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 72.14 112.522 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.35 -175.51 14.01 Favored Glycine 0 N--CA 1.469 0.846 0 CA-C-O 119.796 -0.447 . . . . 74.33 113.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.49 -22.69 12.09 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.941 2.427 . . . . 72.14 112.183 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . 0.495 ' HA ' ' HG3' ' C' ' 750' ' ' GLU . . . 25.93 -88.94 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.792 2.437 . . . . 74.25 115.915 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.17 30.03 0.87 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.73 0.812 . . . . 75.24 109.705 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 61.84 48.51 5.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.659 1.183 . . . . 62.13 112.654 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 72.81 119.04 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.416 1.487 . . . . 71.22 112.517 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.537 HG12 HG12 ' C' ' 781' ' ' VAL . 26.8 pt -65.13 174.36 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.318 1.047 . . . . 75.33 111.186 173.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.95 160.12 42.28 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.077 -0.712 . . . . 74.12 109.077 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . 0.415 HD21 ' HH ' ' C' ' 774' ' ' TYR . 4.4 mm? -58.09 -48.84 78.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.206 0.602 . . . . 73.15 112.492 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.17 69.69 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.807 0.731 . . . . 73.44 111.561 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.77 -34.47 52.31 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.105 0.479 . . . . 72.01 110.442 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.523 HD23 HD22 ' C' ' 777' ' ' LEU . 0.4 OUTLIER -83.84 -53.04 5.88 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.719 0.808 . . . . 74.43 109.371 -173.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -49.73 -41.18 43.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.315 0.646 . . . . 74.31 109.608 164.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -52.55 -44.98 59.83 Favored Glycine 0 C--N 1.356 1.678 0 O-C-N 124.163 0.914 . . . . 52.45 114.008 170.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.431 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 15.9 t80 -61.03 -50.8 71.89 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.429 0.691 . . . . 75.41 110.924 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' C' ' 773' ' ' ILE . 3.9 mm? -61.47 -50.84 71.16 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.059 -0.519 . . . . 74.15 111.703 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.68 -31.77 73.14 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.049 0.843 . . . . 72.21 109.759 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.1 OUTLIER -61.5 -56.49 19.51 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 107.843 -1.169 . . . . 74.54 107.843 173.603 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.582 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 75.6 mmtt -53.67 -40.23 65.76 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 124.312 1.008 . . . . 74.04 112.604 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.1 -45.66 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.828 0.451 . . . . 73.52 110.681 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -78.05 -10.0 59.4 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.919 0.488 . . . . 75.11 111.725 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -92.48 -4.65 53.3 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.77 1.228 . . . . 65.45 111.547 170.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.26 14.44 9.72 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.297 1.439 . . . . 71.41 112.355 -176.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -85.58 -11.41 54.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.233 1.013 . . . . 75.14 110.998 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.582 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.6 OUTLIER -149.16 150.2 32.27 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.369 0.668 . . . . 74.51 109.37 -176.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . 0.411 HG22 ' HD3' ' C' ' 818' ' ' PRO . 68.7 t -105.3 143.9 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.347 1.059 . . . . 74.54 110.403 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -121.66 115.84 23.48 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.505 1.122 . . . . 72.22 108.136 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -91.06 -144.66 0.18 Allowed 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.181 -1.044 . . . . 75.12 108.181 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.28 77.64 1.33 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.459 0.572 . . . . 74.14 110.262 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.7 79.76 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.391 -0.822 . . . . 65.11 113.555 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 32.3 m -133.42 150.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.095 0.558 . . . . 75.1 110.513 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -100.98 147.27 26.37 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.206 0.602 . . . . 64.11 110.974 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.732 ' HA ' HD23 ' C' ' 762' ' ' LEU . 11.1 ptt180 -159.74 146.09 16.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.0 -1.0 . . . . 72.23 109.431 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.781 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 1.9 tp -80.31 138.64 52.06 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 117.96 0.345 . . . . 70.25 110.202 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . 0.411 ' HD3' HG22 ' C' ' 809' ' ' VAL . 38.2 Cg_endo . . . . . 0 C--N 1.366 1.479 0 C-N-CA 121.919 1.746 . . . . 73.2 110.878 170.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.53 -0.628 . . . . 60.53 111.53 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.547 ' HE2' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -155.79 147.28 22.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.496 0.718 . . . . 74.15 109.326 179.524 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -93.93 155.89 16.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.11 0.564 . . . . 63.13 109.551 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -126.34 152.4 33.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 108.418 -0.956 . . . . 72.55 108.418 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -106.6 114.12 28.04 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.934 -1.506 . . . . 75.43 106.934 166.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 p -105.44 110.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 122.126 0.965 . . . . 74.41 108.535 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.447 ' HB2' HG21 ' B' ' 168' ' ' ILE . 12.4 m-20 -91.0 104.33 16.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 75.25 110.699 -166.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.0 p -89.52 108.58 19.74 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.279 -1.008 . . . . 74.34 108.279 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.49 136.87 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.715 0.806 . . . . 73.0 110.068 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.23 118.65 21.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.203 1.001 . . . . 74.22 109.148 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -109.97 116.5 31.71 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.136 -1.061 . . . . 75.34 108.136 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.7 129.34 14.08 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.087 0.47 . . . . 74.43 111.25 -171.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 8.6 m -88.64 115.99 26.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.508 -0.769 . . . . 72.25 110.098 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 12.9 mt -93.26 157.58 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 108.709 -0.849 . . . . 74.33 108.709 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -120.64 121.82 39.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.089 -1.078 . . . . 75.51 108.089 174.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD21 HG13 ' B' ' 105' ' ' VAL . 1.2 pt? -137.66 163.88 30.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.231 0.612 . . . . 74.43 110.068 -177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -107.81 137.08 46.46 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.483 0.713 . . . . 75.2 109.404 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.486 HG13 ' HE3' ' B' ' 101' ' ' MET . 10.7 p -139.1 163.05 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.379 -1.282 . . . . 75.45 108.352 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -115.63 148.54 41.29 Favored Pre-proline 0 N--CA 1.488 1.462 0 CA-C-N 118.389 0.54 . . . . 63.02 109.937 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 55.0 Cg_endo -65.3 -26.47 56.26 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.744 2.296 . . . . 73.33 112.672 -175.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p -83.18 -16.29 47.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.507 0.723 . . . . 71.34 111.856 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.07 159.6 34.41 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -89.17 160.01 17.19 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.834 0.709 . . . . 65.0 110.548 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.557 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 31.6 mm -69.76 -25.29 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 114.336 -1.302 . . . . 75.14 110.089 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 27' ' ' LYS . 12.7 pt-20 -60.49 -23.27 64.37 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 124.171 0.988 . . . . 74.52 111.551 -176.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.8 -54.65 31.81 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.139 0.899 . . . . 71.1 109.598 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -47.24 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.003 -0.999 . . . . 74.33 109.733 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -58.42 -45.09 89.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.555 1.542 . . . . 74.24 111.393 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.24 73.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.118 -0.492 . . . . 71.21 110.932 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 53.6 mtmt -64.72 -51.15 63.93 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 123.686 0.616 . . . . 72.45 111.047 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.53 ' HB ' HD13 ' A' ' 36' ' ' ILE . 13.9 pt -67.94 -30.14 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 117.686 0.221 . . . . 75.51 110.925 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 37' ' ' PRO . 35.1 tt0 -64.7 -45.97 84.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 110.382 -0.229 . . . . 73.44 110.382 169.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.59 -45.63 86.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.56 0.744 . . . . 72.32 110.877 -174.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 66.3 mmtt -84.44 -51.22 7.1 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.298 -0.865 . . . . 73.1 110.999 -172.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.78 -4.31 23.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.172 0.589 . . . . 74.14 112.268 -167.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.52 29.54 65.7 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.45 0.468 . . . . 72.04 114.151 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' A' ' 30' ' ' ILE . 23.7 pt -102.58 102.34 25.51 Favored Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 123.474 0.709 . . . . 72.42 111.101 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.627 ' HA ' HE21 ' A' ' 31' ' ' GLN . 22.5 Cg_exo -66.38 146.12 79.51 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.717 2.278 . . . . 75.31 111.753 176.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -45.86 -39.73 19.3 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 124.771 3.648 . . . . 64.14 114.394 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.63 -39.17 91.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.631 0.772 . . . . 71.24 112.254 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -83.16 -23.65 32.84 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.401 0.62 . . . . 74.15 111.594 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.56 129.24 36.17 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.858 1.663 . . . . 74.15 109.526 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -132.38 70.79 1.46 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.814 0.846 . . . . 74.33 109.229 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.25 127.26 33.49 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.121 0.486 . . . . 72.44 110.027 177.134 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.624 HG12 ' HG3' ' A' ' 49' ' ' GLN . 22.8 mt -125.28 139.13 52.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 C-N-CA 123.583 0.753 . . . . 74.0 109.524 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.5 94.54 4.0 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.682 1.193 . . . . 73.32 109.039 -173.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.42 36.69 27.62 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.751 0.821 . . . . 74.43 111.201 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 -1.2 62.26 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 115.252 -0.885 . . . . 70.32 114.734 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -105.67 114.18 28.19 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.412 0.685 . . . . 73.23 110.763 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.624 ' HG3' HG12 ' A' ' 44' ' ' ILE . 24.7 mp0 -84.03 113.48 21.05 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.255 -1.017 . . . . 73.24 108.255 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HB2' HD11 ' A' ' 43' ' ' LEU . 22.1 mt -77.12 113.7 15.13 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.385 -0.37 . . . . 73.02 111.296 -167.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 3.0 tm-20 -80.18 129.73 34.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 105.652 -1.981 . . . . 73.43 105.652 173.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.557 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p-10 -65.73 -26.77 67.89 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.439 0.533 . . . . 65.03 112.439 -165.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.67 11.01 62.86 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 119.694 -0.503 . . . . 40.24 113.601 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HG2' ' HB3' ' A' ' 51' ' ' GLU . 20.7 mmt85 -93.96 174.76 7.0 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.041 -0.726 . . . . 73.34 109.041 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 p -101.18 169.66 8.77 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.105 -0.702 . . . . 74.15 109.105 172.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.1 mm? -69.26 -36.46 77.15 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 109.093 -0.706 . . . . 74.44 109.093 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 14.8 t -68.1 -26.95 66.07 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.924 0.889 . . . . 75.43 110.986 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.89 -28.63 51.96 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.949 0.9 . . . . 75.43 111.516 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.1 m-85 -110.04 2.9 19.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.334 0.654 . . . . 73.44 112.718 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.66 32.78 13.62 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.788 0.804 . . . . 72.21 110.475 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 59' ' ' TYR . 96.2 mt -64.65 116.28 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.96 0.904 . . . . 74.32 109.515 177.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -123.26 -177.6 3.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.631 1.173 . . . . 75.25 109.659 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 141.93 52.29 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 120.889 0.376 . . . . 75.13 111.838 -172.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.8 31.47 21.26 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.402 1.689 . . . . 74.25 112.361 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -83.76 138.89 33.05 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.406 -0.815 . . . . 73.35 109.444 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 107.87 19.85 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.399 0.679 . . . . 72.13 111.576 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HB3' HG11 ' B' ' 105' ' ' VAL . 2.6 tt -95.46 135.12 37.5 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.989 -1.486 . . . . 73.55 106.989 174.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.439 HD11 ' HE2' ' C' ' 776' ' ' MET . 2.6 tt -114.77 125.59 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 108.739 -0.837 . . . . 74.14 108.739 170.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' ' HA ' ' B' ' 107' ' ' THR . 37.8 tp -87.62 127.77 35.27 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.133 -0.691 . . . . 74.0 109.133 172.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' C' ' 757' ' ' TYR . 4.0 mp -115.41 158.05 23.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.28 -1.378 . . . . 74.33 107.28 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.49 170.14 8.79 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 109.568 -0.53 . . . . 72.34 109.568 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.9 m -32.97 107.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.618 1.567 . . . . 71.01 113.38 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' C' ' 763' ' ' THR . 0.5 OUTLIER -72.88 -32.84 65.66 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.812 -0.631 . . . . 74.15 111.564 177.038 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HG2' HD13 ' A' ' 73' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 123.433 0.693 . . . . 75.04 109.761 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.129 -0.389 . . . . 74.4 112.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.486 ' HE3' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.74 147.62 25.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.257 0.551 . . . . 74.34 109.913 175.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 152.7 22.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 73.51 109.581 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.91 157.68 20.56 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 123.248 0.619 . . . . 63.52 109.586 168.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 26.8 m-85 -111.8 110.51 20.9 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.199 -1.037 . . . . 75.03 108.199 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 15' ' ' LEU . 29.7 m -103.4 107.17 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-O 121.727 0.775 . . . . 75.32 110.297 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.548 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 32.5 t0 -81.99 98.31 8.53 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.618 -0.882 . . . . 62.13 108.618 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.58 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 9.5 t -97.33 137.01 36.98 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 115.795 -0.639 . . . . 73.32 112.439 -168.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.534 HG12 HD23 ' C' ' 765' ' ' LEU . 27.5 m -95.4 130.9 43.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.612 -1.176 . . . . 73.13 109.738 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -128.89 98.32 4.92 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.052 -0.721 . . . . 74.02 109.052 171.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -102.7 127.52 49.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.91 1.284 . . . . 74.32 108.814 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.39 109.99 6.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.499 0.72 . . . . 70.25 109.804 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 60.5 m -81.28 109.97 16.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.495 0.718 . . . . 73.21 109.9 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mm -95.99 169.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 108.242 -1.021 . . . . 73.2 108.242 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 35.5 m -132.32 138.12 47.68 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.559 -0.713 . . . . 74.23 110.553 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.51 167.38 22.29 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.093 0.957 . . . . 74.2 109.062 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 1.4 tm-20 -125.02 132.13 53.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.144 -1.428 . . . . 74.14 107.144 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 1' ' ' MET . 8.7 p -139.35 164.09 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 117.865 0.302 . . . . 73.44 111.314 -172.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -104.31 151.42 39.09 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.364 -0.606 . . . . 72.21 109.364 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.41 -34.37 34.71 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.447 2.098 . . . . 75.11 112.096 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -75.74 -15.75 60.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 122.829 0.452 . . . . 73.24 111.802 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.67 148.06 50.96 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.983 -0.377 . . . . 75.3 109.983 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 7.7 p -77.9 161.95 27.2 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.791 0.682 . . . . 75.01 110.035 169.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.534 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 46.5 mm -64.94 -27.76 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.262 -0.881 . . . . 71.33 109.447 172.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -43.35 -45.34 6.0 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.505 1.522 . . . . 74.45 111.721 170.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 55.1 m-80 -55.87 -54.35 45.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.702 0.626 . . . . 74.33 110.737 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.18 -52.01 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.087 0.955 . . . . 73.4 111.216 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.12 73.54 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.066 -0.515 . . . . 74.24 111.808 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.99 60.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.585 0.354 . . . . 72.13 111.407 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 9.2 mmpt? -74.57 -49.06 23.27 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.998 -0.371 . . . . 75.41 109.998 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.528 ' HB ' HD13 ' B' ' 136' ' ' ILE . 16.4 pt -67.86 -27.1 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 121.905 0.082 . . . . 64.53 111.103 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.52 -41.64 68.97 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.356 0.662 . . . . 75.0 111.256 170.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.91 -50.02 75.39 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.448 0.642 . . . . 54.21 110.002 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -75.94 -70.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.441 -1.254 . . . . 74.43 111.034 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.39 -10.59 27.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.139 0.576 . . . . 73.02 112.271 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.96 31.96 54.29 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 120.053 -0.304 . . . . 75.2 113.298 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.528 HD13 ' HB ' ' B' ' 130' ' ' ILE . 52.5 mt -75.59 111.18 13.04 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.222 0.609 . . . . 74.43 110.033 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.496 ' O ' ' HB2' ' B' ' 141' ' ' GLN . 10.8 Cg_exo -71.9 123.21 9.14 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.411 2.741 . . . . 75.21 111.937 -174.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.29 -28.85 73.84 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 123.891 3.061 . . . . 72.54 112.593 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.015 -1.448 . . . . 75.04 110.838 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.459 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 24.7 mt-30 -109.25 20.71 17.99 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.989 0.915 . . . . 71.02 111.306 -172.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 137' ' ' PRO . 24.9 tt0 -102.38 100.02 10.13 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.911 0.884 . . . . 73.13 109.698 -171.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -87.74 94.03 9.62 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.342 -0.984 . . . . 72.55 108.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' B' ' 150' ' ' LEU . 4.1 mp -77.47 143.88 38.18 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.351 -0.981 . . . . 74.53 108.351 174.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.06 119.61 11.7 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.987 -1.116 . . . . 74.44 107.987 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.531 ' HB2' HD23 ' B' ' 150' ' ' LEU . 28.1 t80 -133.35 100.42 4.83 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 107.991 -1.114 . . . . 70.22 107.991 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.45 32.77 6.87 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.036 0.835 . . . . 71.44 110.995 -171.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.29 2.58 65.8 Favored Glycine 0 C--N 1.358 1.775 0 N-CA-C 115.016 0.766 . . . . 73.2 115.016 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -111.12 127.84 55.7 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 117.826 0.813 . . . . 74.44 110.145 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.96 137.52 38.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 170.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -91.21 103.09 15.81 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.439 -0.948 . . . . 73.44 108.439 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.44 131.95 47.71 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 109.169 -0.678 . . . . 63.1 109.169 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.534 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.7 p-10 -62.0 -28.83 69.85 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.361 1.064 . . . . 71.21 113.03 -169.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.31 3.42 81.54 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 119.718 -0.49 . . . . 61.12 114.076 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.72 176.59 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.018 0.927 . . . . 75.51 108.842 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 3.5 p -112.51 169.4 8.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.24 0.616 . . . . 73.24 110.426 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -38.95 88.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.865 -1.061 . . . . 73.54 109.147 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.2 t -62.93 -38.45 91.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.597 0.759 . . . . 71.0 110.391 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.93 -23.88 55.43 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.887 0.875 . . . . 75.02 111.688 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -111.13 0.64 16.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.56 0.744 . . . . 73.13 112.579 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.48 55.91 8.02 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 122.298 1.047 . . . . 72.43 110.125 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.547 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 10.4 mm -69.35 117.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 114.616 -1.174 . . . . 75.11 109.974 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . 0.492 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -87.43 150.55 23.71 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 123.393 0.677 . . . . 74.33 110.026 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -56.97 144.86 32.26 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.872 -0.788 . . . . 74.42 108.872 170.087 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.258 0.2 OUTLIER 54.8 24.08 5.41 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.665 1.586 . . . . 65.44 113.417 -177.315 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.492 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 64.7 p -60.64 138.11 58.1 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 119.668 -0.206 . . . . 75.45 111.28 168.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.97 34.48 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.413 -0.588 . . . . 72.11 109.413 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 109.09 7.92 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.254 -1.017 . . . . 64.3 108.254 -171.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' A' ' 6' ' ' ASP . 3.5 pt -98.84 141.4 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 CA-C-N 118.816 0.735 . . . . 75.22 111.019 -170.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 91.7 mt -106.43 113.48 27.02 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.999 1.32 . . . . 75.44 109.283 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.85 159.58 16.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.336 1.054 . . . . 73.14 109.391 170.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.19 154.44 39.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.646 -0.501 . . . . 71.42 109.646 168.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.459 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.4 t . . . . . 0 N--CA 1.49 1.558 0 C-N-CA 125.247 1.419 . . . . 70.23 113.204 -175.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.864 0 N-CA-C 112.142 0.423 . . . . 73.21 112.142 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -52.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 124.75 1.281 . . . . 72.24 111.108 -170.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 0.4 OUTLIER -45.92 -51.94 12.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.382 1.473 . . . . 73.45 113.589 -176.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' C' ' 747' ' ' LYS . 38.9 mtmt -60.19 -56.4 22.07 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.65 0.738 . . . . 64.21 111.101 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -48.06 -42.96 29.94 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 113.754 -1.566 . . . . 74.31 111.751 172.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' C' ' 753' ' ' LEU . 42.9 mt-10 -70.96 -29.6 65.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.379 -0.828 . . . . 73.54 110.858 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 14.6 mm-40 -65.98 -43.91 86.41 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.944 -0.762 . . . . 75.03 108.944 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.7 -47.6 84.0 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.298 0.999 . . . . 74.44 110.365 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.42 -29.93 69.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.677 -1.147 . . . . 74.02 109.797 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . 0.602 HD21 ' NE2' ' A' ' 49' ' ' GLN . 1.3 tm? -75.75 -33.39 60.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.029 0.932 . . . . 75.02 110.092 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -70.3 -31.73 69.18 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.198 -0.668 . . . . 73.03 109.198 172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -74.72 -31.87 61.98 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.16 -0.473 . . . . 74.55 110.792 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 37.7 m -67.36 -32.71 73.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.887 -0.782 . . . . 73.03 108.887 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.446 ' HA ' HD23 ' A' ' 70' ' ' LEU . 10.3 m-85 -62.49 -67.95 0.37 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 115.707 -0.679 . . . . 75.53 109.636 170.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.47 -30.91 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 O-C-N 123.563 0.539 . . . . 75.33 111.981 -166.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' C' ' 817' ' ' LEU . 7.3 tt0 -76.25 -54.88 6.15 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.134 -0.354 . . . . 72.04 110.833 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . . . -70.43 -19.09 63.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.95 0.5 . . . . 70.24 111.876 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.655 ' HB2' HD11 ' C' ' 765' ' ' LEU . 26.6 ptm -85.19 -53.02 5.52 Favored 'General case' 0 CA--C 1.556 1.175 0 CA-C-O 118.796 -0.621 . . . . 74.23 110.036 170.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.488 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 24.2 mt -67.83 -17.13 64.41 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 118.966 0.803 . . . . 74.43 112.779 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 763' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 73' ' ' LEU . 15.2 t -64.45 -18.49 64.8 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.555 0.693 . . . . 74.33 110.315 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.09 -44.74 3.9 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.179 0.992 . . . . 71.32 109.949 171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' C' ' 761' ' ' MET . 33.5 mt -97.03 25.99 5.0 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.438 1.095 . . . . 74.41 112.461 -164.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.423 ' HA ' HD22 ' C' ' 762' ' ' LEU . 5.7 pt-20 -64.24 76.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.655 0.983 . . . . 62.55 113.655 -170.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 26.3 m -174.52 20.21 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.328 1.451 . . . . 60.52 110.511 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.517 HD21 HH11 ' C' ' 772' ' ' ARG . 98.5 mt -104.41 118.98 37.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.946 -0.471 . . . . 72.24 110.759 -166.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 769' ' ' SER . . . . . 0.585 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 23.0 t -66.28 162.53 19.93 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.593 0.757 . . . . 75.14 111.325 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.408 ' HB2' ' HE2' ' C' ' 815' ' ' TYR . 0.2 OUTLIER -54.5 -43.89 72.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 114.334 -1.303 . . . . 73.43 110.292 178.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.24 -44.33 75.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.801 0.84 . . . . 75.25 111.994 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.517 HH11 HD21 ' C' ' 768' ' ' LEU . 76.3 mtt180 -64.87 -59.75 3.84 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.175 -0.92 . . . . 74.33 109.959 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.412 HD13 HD12 ' C' ' 799' ' ' LEU . 2.6 pp -66.58 -20.44 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.357 -1.292 . . . . 64.23 110.858 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.85 -57.94 7.53 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.487 0.715 . . . . 75.1 109.538 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -56.43 -38.56 71.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.824 0.702 . . . . 71.24 111.223 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.481 ' SD ' ' HE1' ' C' ' 761' ' ' MET . 68.7 mtp -62.98 -59.1 5.29 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.473 -0.785 . . . . 71.35 111.724 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.414 HD23 HD12 ' C' ' 795' ' ' LEU . 7.3 mp -60.61 -32.1 71.24 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.242 0.617 . . . . 74.42 112.157 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -58.65 -53.43 58.4 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 123.988 0.805 . . . . 71.02 109.697 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 779' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' C' ' 780' ' ' PHE . 1.3 tmt? -50.2 -56.57 10.51 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.825 0.703 . . . . 73.31 110.37 173.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . 0.452 ' CD1' ' SD ' ' C' ' 779' ' ' MET . 16.7 m-85 -58.99 -33.39 70.64 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 113.376 0.88 . . . . 75.44 113.376 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.406 HG11 HG12 ' C' ' 790' ' ' ILE . 3.6 p -88.94 -29.88 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 112.145 0.424 . . . . 74.21 112.145 -175.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.98 -26.8 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 122.583 0.353 . . . . 72.2 111.154 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 20.3 p -65.23 -24.81 67.44 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.43 0.456 . . . . 75.11 111.145 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -116.12 170.46 13.35 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 123.918 0.761 . . . . 63.23 111.889 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -82.81 4.68 6.92 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.802 2.335 . . . . 64.0 111.878 169.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.43 112.87 0.65 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.963 1.705 . . . . 70.21 112.075 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 13.6 mt 66.34 9.02 6.09 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.792 1.237 . . . . 74.25 112.237 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 54.87 38.97 31.23 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.442 1.097 . . . . 64.52 111.446 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 73.74 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.175 1.79 . . . . 74.43 111.483 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.406 HG12 HG11 ' C' ' 781' ' ' VAL . 44.6 pt -74.23 156.71 6.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 123.34 0.656 . . . . 73.44 110.631 172.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.96 173.01 6.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.613 1.165 . . . . 72.01 108.943 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.55 -49.82 66.84 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.951 1.3 . . . . 72.32 111.631 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.47 68.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.561 0.344 . . . . 72.22 111.281 -178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.11 -51.73 43.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.154 0.582 . . . . 74.51 110.127 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.414 HD12 HD23 ' C' ' 777' ' ' LEU . 16.8 tp -68.2 -53.23 26.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.406 -0.815 . . . . 75.23 111.198 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.36 -40.86 87.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.543 0.737 . . . . 74.53 110.619 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.62 96.04 Favored Glycine 0 C--N 1.351 1.395 0 O-C-N 123.913 0.758 . . . . 62.33 113.364 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -64.81 -43.89 91.66 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.469 0.708 . . . . 75.34 110.289 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.412 HD12 HD13 ' C' ' 773' ' ' ILE . 52.6 mt -69.88 -42.27 73.66 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.709 1.204 . . . . 74.13 111.384 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.24 -47.82 83.94 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.419 1.088 . . . . 74.22 109.495 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -51.05 71.02 Favored 'General case' 0 C--O 1.211 -0.936 0 O-C-N 124.68 1.238 . . . . 75.25 110.355 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.603 ' HZ2' ' HB2' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -56.78 -41.57 77.91 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.907 1.283 . . . . 74.33 113.551 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.7 t -70.63 -41.42 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.664 0.786 . . . . 50.24 110.393 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.45 -10.4 59.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.309 0.644 . . . . 73.44 111.483 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.58 -4.37 59.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.202 1.001 . . . . 71.33 108.985 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 70.54 12.03 7.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.755 1.622 . . . . 73.42 112.603 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.6 8.97 23.02 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.326 0.651 . . . . 74.43 111.389 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 1.2 tt -145.85 143.3 29.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.725 -1.583 . . . . 74.22 106.725 169.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 39.8 t -112.62 124.82 69.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 123.495 0.718 . . . . 75.23 109.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -93.39 107.12 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.83 -1.174 . . . . 73.44 107.83 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.418 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.6 t -79.4 -153.32 0.07 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 108.208 -1.034 . . . . 70.12 108.208 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -67.94 77.63 0.22 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.719 0.69 . . . . 73.32 110.417 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.46 13.14 77.45 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.066 -0.97 . . . . 65.45 114.361 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' C' ' 769' ' ' SER . 11.4 m -124.47 147.7 28.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 117.855 0.827 . . . . 71.43 110.183 175.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . 0.408 ' HE2' ' HB2' ' C' ' 770' ' ' LEU . 92.0 m-85 -94.86 134.39 37.55 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.291 0.636 . . . . 70.12 110.226 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -154.66 142.75 20.26 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.772 -1.104 . . . . 72.44 108.616 -176.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 73.0 mt -85.52 142.26 37.29 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 112.025 0.38 . . . . 74.13 112.025 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--N 1.378 2.12 0 C-N-CA 122.877 2.385 . . . . 73.33 111.866 172.251 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.857 -0.497 . . . . 64.42 111.857 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.62 149.2 31.1 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.169 0.588 . . . . 72.12 110.303 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.592 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -97.6 149.84 21.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.837 -0.801 . . . . 75.43 108.837 -173.41 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -137.93 153.53 27.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 CA-C-O 121.265 0.555 . . . . 71.12 110.521 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.491 ' HB3' HG21 ' B' ' 112' ' ' THR . 22.6 m-85 -106.64 108.15 19.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.152 -1.385 . . . . 74.13 108.167 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.643 HG11 HG21 ' B' ' 130' ' ' ILE . 35.1 t -96.77 97.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.45 -0.944 . . . . 71.43 108.45 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.03 109.21 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.327 -0.62 . . . . 74.01 109.327 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 7.7 t -90.05 142.72 27.44 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.745 -0.661 . . . . 41.33 109.439 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.58 120.0 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 122.081 0.943 . . . . 72.24 108.967 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -101.76 84.75 2.6 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.888 -1.051 . . . . 55.32 108.713 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.513 ' HB2' HD13 ' C' ' 765' ' ' LEU . 8.5 t-105 -100.72 103.14 14.38 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 105.762 -1.94 . . . . 73.32 105.762 168.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -152.7 131.78 12.65 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.483 0.549 . . . . 75.03 112.483 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.5 HG23 ' HB3' ' B' ' 104' ' ' PHE . 5.2 m -92.8 107.27 19.09 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.394 -1.275 . . . . 75.1 109.11 176.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 mt -94.42 170.45 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.754 1.222 . . . . 74.23 109.244 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.9 m -125.65 133.88 52.05 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.391 0.676 . . . . 73.22 110.257 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -136.65 169.32 17.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.665 1.186 . . . . 73.32 108.528 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HG2' ' HB3' ' B' ' 102' ' ' GLN . 31.0 mt-10 -120.2 145.61 46.82 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.569 0.748 . . . . 71.31 110.49 173.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' HE2' ' B' ' 101' ' ' MET . 14.9 p -154.36 167.51 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 CA-C-N 114.741 -1.118 . . . . 74.04 110.622 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.66 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 40.1 mm-40 -100.59 148.32 34.82 Favored Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 123.544 0.738 . . . . 74.24 110.593 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 54.0 Cg_endo -67.38 -32.82 31.6 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.995 2.463 . . . . 70.54 112.433 -178.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -90.87 -3.29 57.47 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.222 -0.899 . . . . 72.52 111.813 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.66 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -77.97 170.72 16.12 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.847 0.459 . . . . 73.55 109.995 -178.299 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.408 ' HB ' ' HG3' ' A' ' 24' ' ' GLU . 3.3 p -89.3 163.72 15.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.741 0.781 . . . . 73.11 112.432 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 HD13 HD11 ' A' ' 50' ' ' LEU . 48.0 mm -78.87 -32.31 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 114.407 -1.27 . . . . 71.3 110.51 176.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.695 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -62.01 -30.12 70.74 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.378 0.671 . . . . 52.52 110.979 176.371 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.7 t30 -56.96 -59.18 5.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.969 -1.014 . . . . 75.51 109.896 170.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -58.94 -40.85 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.366 1.066 . . . . 62.54 110.828 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HD3' ' HG3' ' A' ' 38' ' ' PRO . 3.7 tmmm? -57.36 -49.25 76.77 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.079 1.351 . . . . 75.14 110.633 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.13 70.27 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.836 -0.62 . . . . 73.13 111.102 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.7 mmtp -65.85 -44.95 83.92 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.113 0.565 . . . . 74.44 111.189 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.439 ' HB ' HD12 ' A' ' 36' ' ' ILE . 19.9 pt -73.27 -30.15 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 110.475 -0.194 . . . . 72.45 110.475 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -71.48 -27.35 63.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.05 0.54 . . . . 71.41 110.627 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.55 -51.31 10.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.873 0.869 . . . . 73.44 110.611 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 7.9 mtmp? -89.69 -46.91 8.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.422 -0.808 . . . . 71.14 111.633 -170.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.41 -22.62 17.04 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 122.875 0.47 . . . . 74.44 110.996 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 23.47 61.05 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.16 0.288 . . . . 52.44 113.694 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.464 HG22 HD21 ' A' ' 69' ' ' LEU . 83.0 mt -73.26 115.05 37.09 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 123.671 0.788 . . . . 75.11 110.756 -176.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -83.74 108.29 1.43 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.635 2.89 . . . . 73.15 111.388 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.518 ' HG3' ' HD3' ' A' ' 27' ' ' LYS . 54.9 Cg_endo -62.51 -30.76 80.11 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 123.417 2.745 . . . . 73.1 113.209 -172.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -39.61 78.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.789 1.236 . . . . 71.41 111.412 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -108.58 1.85 21.68 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.569 -0.741 . . . . 74.55 111.143 -178.192 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -124.27 98.94 5.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.571 -0.9 . . . . 71.52 108.571 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -78.34 107.28 10.84 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 109.32 -0.622 . . . . 74.03 109.32 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.5 mp -77.76 143.86 37.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.422 -0.808 . . . . 70.23 109.617 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 68.9 mt -140.49 128.2 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.029 0.932 . . . . 70.44 109.287 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -114.33 107.26 15.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.447 1.099 . . . . 73.11 109.09 -178.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB2' ' HB ' ' C' ' 783' ' ' THR . . . 58.92 28.14 17.18 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.072 0.858 . . . . 63.4 112.593 171.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.24 11.14 57.7 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.932 0.733 . . . . 64.23 114.932 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -132.06 114.01 14.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.526 0.663 . . . . 71.34 109.358 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 13.9 pt20 -66.86 137.91 56.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.83 0.852 . . . . 75.14 111.121 -174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 3.6 mm? -73.96 152.15 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.131 0.572 . . . . 73.33 111.553 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -143.72 126.96 16.63 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.721 1.208 . . . . 63.54 108.466 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.695 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 56.1 m-20 -50.58 -41.78 54.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.575 1.55 . . . . 75.14 113.805 -169.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.02 54.52 Favored Glycine 0 C--N 1.336 0.581 0 CA-C-N 115.664 -0.698 . . . . 63.43 114.638 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.5 177.24 5.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.424 0.689 . . . . 73.34 109.887 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -106.19 166.4 10.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.218 1.007 . . . . 73.33 109.469 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 HD13 HG23 ' A' ' 61' ' ' ILE . 3.8 mm? -64.24 -55.49 21.19 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.199 0.6 . . . . 74.53 110.618 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -64.26 -14.77 57.81 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.354 0.872 . . . . 74.42 113.354 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.51 -38.77 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.396 0.678 . . . . 74.33 109.894 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' HB2' HG13 ' A' ' 61' ' ' ILE . 23.4 m-85 -94.1 4.29 54.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.676 0.79 . . . . 72.32 110.992 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.94 40.25 7.47 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.442 1.115 . . . . 71.14 109.517 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 59' ' ' TYR . 92.8 mt -73.79 94.81 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 114.315 -1.311 . . . . 75.02 109.597 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -89.42 -172.31 3.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.168 -1.378 . . . . 75.44 110.18 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' B' ' 101' ' ' MET . 37.3 ttmt -70.97 151.9 44.17 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.654 -0.498 . . . . 74.13 109.654 173.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 51.41 22.61 1.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.89 2.076 . . . . 73.35 113.405 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -78.17 130.44 36.34 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.945 -0.761 . . . . 72.11 108.945 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.37 116.16 29.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.613 0.72 . . . . 65.13 111.528 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 43' ' ' LEU . 2.6 tt -91.01 125.88 35.93 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.916 -1.513 . . . . 74.14 106.916 172.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 tt -105.65 133.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.34 -0.985 . . . . 72.15 108.34 170.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 HD21 HG22 ' A' ' 36' ' ' ILE . 5.2 mp -107.13 113.56 27.08 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.071 -0.715 . . . . 74.4 109.071 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' C' ' 760' ' ' ALA . 4.6 mp -95.85 125.04 40.14 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.129 -1.434 . . . . 73.14 107.129 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.77 175.11 8.28 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 111.67 0.248 . . . . 71.41 111.67 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.525 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 38.0 m -38.53 96.45 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.212 1.405 . . . . 72.1 112.608 174.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -84.65 -44.01 13.85 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.581 -1.266 . . . . 75.35 107.581 163.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.6 tpm_? . . . . . 0 C--O 1.258 1.51 0 CA-C-N 114.735 -1.12 . . . . 75.41 108.478 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . 0.448 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.476 1.331 0 N-CA-C 112.396 -0.282 . . . . 65.51 112.396 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.503 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -152.62 168.49 25.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.3 0.64 . . . . 73.3 110.654 -176.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -119.28 125.41 49.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.825 -1.176 . . . . 71.2 107.825 176.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.25 174.5 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.187 0.595 . . . . 75.33 110.169 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 12' ' ' THR . 22.7 m-85 -114.92 143.82 44.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.757 -0.656 . . . . 73.0 109.568 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.46 106.71 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-O 121.876 0.846 . . . . 71.21 110.131 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.498 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.5 t0 -88.42 99.83 12.57 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.817 1.247 . . . . 74.4 109.097 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 9.7 t -103.77 138.7 40.01 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 123.476 0.71 . . . . 74.45 111.218 -173.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 p -108.51 108.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 114.576 -1.193 . . . . 71.43 108.44 169.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -142.13 163.14 33.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.809 0.844 . . . . 64.5 109.481 175.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -95.02 173.49 7.55 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.903 0.481 . . . . 74.42 109.866 170.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.5 114.13 4.03 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.653 -0.703 . . . . 73.54 109.457 167.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' THR . . . . . 0.491 HG21 ' HB3' ' A' ' 4' ' ' PHE . 52.0 m -81.62 122.98 28.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.772 0.829 . . . . 72.11 110.351 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.448 HD13 ' HG3' ' B' ' 134' ' ' GLU . 15.0 mm -102.23 108.95 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.614 -0.884 . . . . 75.31 108.614 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.7 p -87.62 113.53 23.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 72.43 110.077 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.97 135.78 31.52 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 110.503 -0.184 . . . . 65.14 110.503 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.3 tt0 -79.79 141.79 35.94 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.992 -0.744 . . . . 73.01 108.992 173.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.98 167.46 26.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.05 0.94 . . . . 73.14 108.828 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -109.18 152.3 42.48 Favored Pre-proline 0 N--CA 1.477 0.919 0 N-CA-C 109.067 -0.716 . . . . 75.43 109.067 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.56 -34.41 75.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.179 1.919 . . . . 72.41 111.577 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.8 p -82.64 -1.63 51.58 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.353 1.061 . . . . 62.44 112.312 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -80.98 164.32 22.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 73.55 110.2 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -99.37 166.43 11.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.639 0.775 . . . . 74.11 110.313 170.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.66 -25.91 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.109 0.964 . . . . 74.01 110.395 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.19 -25.7 67.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.238 0.615 . . . . 71.22 111.027 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.91 -50.91 45.47 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 123.498 0.719 . . . . 71.12 109.929 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.08 -46.14 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.519 0.728 . . . . 74.32 109.707 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -52.08 -54.81 25.75 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.481 -1.69 . . . . 73.21 111.338 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.02 65.16 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.78 -0.645 . . . . 61.33 111.585 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -74.92 -46.34 36.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 74.11 110.984 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.643 HG21 HG11 ' A' ' 5' ' ' VAL . 26.9 pt -69.24 -29.68 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 120.874 0.369 . . . . 73.42 110.344 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -73.83 -36.46 64.94 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.562 0.745 . . . . 73.03 111.315 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.14 -49.4 57.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.464 0.706 . . . . 73.3 110.725 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -75.26 -60.99 2.05 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.503 -1.226 . . . . 63.53 110.976 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . 0.448 ' HG3' HD13 ' B' ' 113' ' ' ILE . 38.7 mm-40 -102.25 -9.8 20.1 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.876 -0.602 . . . . 71.51 112.346 -166.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.62 16.77 80.44 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 119.256 -0.747 . . . . 74.43 113.56 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.558 HD12 ' HB ' ' B' ' 130' ' ' ILE . 71.1 mt -62.6 115.99 20.44 Favored Pre-proline 0 C--N 1.361 1.07 0 C-N-CA 123.032 0.533 . . . . 74.2 109.69 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 73.0 Cg_endo -80.72 113.76 2.86 Favored 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.456 2.104 . . . . 73.14 110.229 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.51 -38.96 30.34 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.85 2.367 . . . . 71.23 113.661 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.47 -34.02 75.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.325 -0.852 . . . . 75.22 110.705 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.532 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.4 OUTLIER -89.78 -24.15 21.56 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.103 0.961 . . . . 74.31 111.098 -177.374 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -132.87 103.8 6.26 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.209 1.004 . . . . 73.44 108.751 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -84.7 130.8 34.65 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.533 0.733 . . . . 74.3 111.38 -174.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.78 134.67 35.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.516 0.726 . . . . 64.41 110.249 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . 0.428 ' HB3' HG22 ' B' ' 168' ' ' ILE . 22.1 t70 -132.03 145.49 51.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.142 0.977 . . . . 74.34 109.183 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -130.76 103.62 6.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.882 0.873 . . . . 65.14 109.778 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.41 29.44 19.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.252 1.021 . . . . 75.51 112.557 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.29 -8.37 69.47 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 116.133 -0.485 . . . . 72.44 113.41 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -106.62 115.62 30.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.869 0.868 . . . . 75.22 109.403 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.73 149.03 50.49 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.361 0.664 . . . . 74.1 110.425 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 65.5 mt -92.34 122.12 34.49 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.793 -0.639 . . . . 71.33 109.63 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.491 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -70.32 126.84 30.81 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.241 -1.392 . . . . 71.24 107.241 171.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.04 -38.87 73.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.755 1.222 . . . . 75.44 113.498 -166.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -104.64 21.87 35.52 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.8 -0.444 . . . . 75.03 113.218 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.491 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 17.4 ttm180 -96.02 168.88 10.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.563 0.745 . . . . 75.22 109.268 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 17.7 m -102.78 153.76 19.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.926 0.785 . . . . 73.51 110.947 -169.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.41 HD11 HG23 ' B' ' 161' ' ' ILE . 3.3 mm? -65.41 -40.61 93.6 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.522 0.729 . . . . 74.24 110.717 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 59.6 m -57.28 -35.62 70.03 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.157 0.583 . . . . 75.13 112.07 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.76 -33.39 66.55 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.056 0.848 . . . . 61.34 111.074 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.92 -9.95 27.39 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 119.103 -0.475 . . . . 75.15 111.002 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 60.24 54.09 4.15 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.465 1.126 . . . . 73.22 109.727 -174.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 156' ' ' LEU . 3.7 mm -72.22 130.98 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 114.118 -1.401 . . . . 75.13 110.057 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.01 169.24 9.82 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 123.502 0.721 . . . . 74.2 110.831 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 143.33 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 115.362 -0.835 . . . . 72.4 108.785 171.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER 53.47 28.97 8.23 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.965 1.706 . . . . 74.34 114.118 -175.211 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -64.21 111.47 2.6 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 110.24 -0.282 . . . . 65.25 110.24 162.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . . . -86.97 143.16 27.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.681 0.792 . . . . 65.24 110.53 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 1.4 mt -132.76 143.14 49.39 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.346 1.058 . . . . 75.43 109.91 -171.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' B' ' 144' ' ' ASP . 9.6 tt -111.32 121.16 63.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.404 0.682 . . . . 74.25 109.884 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.559 HD11 HG12 ' A' ' 5' ' ' VAL . 10.2 mp -87.59 119.56 28.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.541 -0.754 . . . . 73.54 110.52 171.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.37 164.87 11.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.468 1.107 . . . . 75.11 108.141 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' B' ' 172' ' ' THR . 28.9 tp -65.94 163.58 16.84 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 122.846 0.458 . . . . 72.02 110.614 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.506 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.1 t . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.436 1.494 . . . . 72.43 112.644 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 111.569 0.211 . . . . 61.43 111.569 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.7 -59.69 4.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.081 1.352 . . . . 73.53 112.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 11.1 pt20 -62.56 -37.81 87.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 124.285 0.991 . . . . 75.01 111.61 -175.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.93 -43.14 75.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.091 0.957 . . . . 72.54 110.838 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -55.56 -46.84 77.1 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.985 -1.462 . . . . 73.24 111.032 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -68.86 -31.16 69.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.585 0.553 . . . . 72.34 110.134 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 38.4 mm-40 -60.89 -60.11 4.32 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 108.291 -1.003 . . . . 74.45 108.291 172.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.11 -38.74 53.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.863 1.265 . . . . 73.01 111.421 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 6.8 tt -73.49 -33.45 64.82 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.558 0.743 . . . . 74.24 110.377 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -43.91 83.65 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.013 -0.736 . . . . 74.54 109.013 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.564 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 73.9 m-85 -57.06 -44.76 83.35 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.455 0.702 . . . . 73.15 110.166 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.545 ' O ' ' HG3' ' C' ' 759' ' ' GLN . 31.3 t-105 -58.98 -45.75 89.83 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.459 -1.246 . . . . 75.23 110.111 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 97.2 m -59.31 -36.17 75.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.883 0.873 . . . . 71.31 110.716 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.564 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 38.1 m-85 -62.46 -54.91 33.08 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 110.104 -0.332 . . . . 73.33 110.104 173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.477 HG13 ' O ' ' C' ' 754' ' ' PHE . 49.9 mt -61.37 -49.26 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.139 0.899 . . . . 73.5 112.098 -173.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' C' ' 755' ' ' TRP . 0.0 OUTLIER -80.93 -32.45 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.084 -0.96 . . . . 74.44 112.374 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.552 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -74.68 -25.28 59.06 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 119.316 0.962 . . . . 63.23 111.549 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 19.5 ptp -73.64 -54.66 7.63 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.168 -1.049 . . . . 74.32 108.168 166.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' C' ' 816' ' ' ARG . 20.5 mt -62.35 -10.96 12.8 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.342 1.457 . . . . 73.21 113.698 -178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 61.4 m -52.71 -28.04 20.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.536 0.735 . . . . 73.12 110.483 169.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -142.79 -21.49 0.65 Allowed 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.211 1.004 . . . . 74.11 111.613 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.534 HD22 HD13 ' C' ' 768' ' ' LEU . 16.2 tp -96.25 41.04 1.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.851 1.26 . . . . 74.12 109.426 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.13 80.72 0.69 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.934 0.894 . . . . 74.24 112.556 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 28.5 p 169.2 72.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.474 1.51 . . . . 74.43 109.79 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.534 HD13 HD22 ' C' ' 765' ' ' LEU . 86.9 mt -126.61 113.55 16.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.409 0.684 . . . . 64.23 111.371 -174.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.7 t -67.55 153.29 44.02 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 115.369 -0.832 . . . . 73.14 109.728 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.594 HD11 HD13 ' C' ' 773' ' ' ILE . 0.1 OUTLIER -52.21 -41.74 62.96 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.326 1.016 . . . . 74.03 110.074 174.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.39 -56.51 14.45 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.99 0.916 . . . . 64.45 111.155 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -58.15 -55.01 40.54 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 114.007 -1.451 . . . . 72.45 111.587 -173.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.594 HD13 HD11 ' C' ' 770' ' ' LEU . 2.8 pp -68.62 -23.69 28.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-N 115.995 -0.548 . . . . 64.4 111.034 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -65.04 -44.64 88.39 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.19 0.45 . . . . 74.53 110.061 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -61.4 -43.45 98.85 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.218 0.324 . . . . 75.42 110.686 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 92.5 mmm -56.42 -64.22 0.94 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.805 0.69 . . . . 72.33 111.136 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.528 ' HB3' HD11 ' C' ' 790' ' ' ILE . 0.7 OUTLIER -48.07 -52.41 20.36 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.554 1.542 . . . . 64.13 111.389 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -59.73 -38.87 82.89 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.654 0.781 . . . . 73.44 111.976 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 3.6 ttp -58.51 -45.75 88.13 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.964 0.79 . . . . 73.31 110.061 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 33.3 m-85 -66.14 -35.29 80.1 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.952 -0.567 . . . . 72.44 112.156 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.572 HG22 HG12 ' C' ' 790' ' ' ILE . 2.1 t -77.45 -29.0 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-N 118.096 0.407 . . . . 65.05 111.418 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 -30.55 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.914 -0.491 . . . . 65.23 110.344 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 783' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 46' ' ' ALA . 33.6 p -73.19 -25.97 60.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.756 0.312 . . . . 72.13 111.015 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -133.4 91.41 0.26 Allowed Glycine 0 C--N 1.341 0.829 0 N-CA-C 109.958 -1.257 . . . . 75.1 109.958 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.65 13.63 0.21 Allowed 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.982 3.121 . . . . 72.5 115.28 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.93 -35.22 14.48 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.022 1.329 . . . . 74.15 113.727 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 67.6 mt -103.88 -17.54 14.99 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.403 0.681 . . . . 74.31 111.595 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.1 71.11 0.59 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.564 1.146 . . . . 75.3 111.87 -171.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 54.64 99.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.639 1.576 . . . . 64.45 113.603 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.572 HG12 HG22 ' C' ' 781' ' ' VAL . 35.0 pt -65.41 148.93 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.298 0.571 . . . . 74.11 110.452 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -102.46 170.71 7.89 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 115.554 -0.748 . . . . 72.32 110.107 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.32 -40.01 61.34 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 124.905 1.282 . . . . 75.23 111.826 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -76.04 -32.22 59.23 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 118.862 -0.589 . . . . 73.54 111.97 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.91 -61.08 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.232 -0.655 . . . . 73.23 109.232 169.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -50.45 65.86 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 114.224 -1.353 . . . . 73.41 111.752 -172.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.69 -48.56 79.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.261 0.624 . . . . 70.43 110.262 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.6 85.69 Favored Glycine 0 C--N 1.355 1.629 0 O-C-N 124.111 0.882 . . . . 60.23 113.244 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.94 -55.02 21.68 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.959 0.903 . . . . 64.44 109.64 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.471 HD13 HD13 ' C' ' 773' ' ' ILE . 74.7 mt -59.67 -43.51 93.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.549 1.14 . . . . 75.22 111.362 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.23 -47.64 80.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.611 1.194 . . . . 74.52 109.71 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -50.32 71.01 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 124.471 1.107 . . . . 74.35 110.948 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.3 mmtt -54.25 -39.71 67.07 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.787 0.662 . . . . 73.42 112.787 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 63.4 t -69.29 -42.76 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.69 0.796 . . . . 73.23 110.298 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -75.74 -9.39 58.55 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.767 0.827 . . . . 74.41 111.841 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.45 -1.6 35.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.947 0.899 . . . . 73.32 111.484 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.99 13.38 9.03 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.254 1.422 . . . . 74.44 111.943 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -92.41 -12.67 31.59 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.741 1.216 . . . . 74.12 110.562 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -133.61 139.73 46.69 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 106.919 -1.512 . . . . 71.43 106.919 172.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.85 116.17 47.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.766 -0.827 . . . . 74.54 108.766 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -91.95 106.91 18.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.646 -1.242 . . . . 74.13 107.646 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 14.5 t -76.26 -149.73 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.973 0.909 . . . . 64.44 109.539 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.41 74.5 1.9 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.135 0.493 . . . . 74.51 110.131 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.73 76.15 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 115.314 -0.857 . . . . 72.23 113.9 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.51 136.49 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 117.032 0.416 . . . . 75.23 110.512 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.6 139.79 30.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.779 0.832 . . . . 73.13 111.413 -174.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . 0.675 ' HA ' HD21 ' C' ' 762' ' ' LEU . 4.9 ppt_? -159.0 146.87 17.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.516 -0.92 . . . . 65.54 108.516 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 18.1 mt -76.57 150.79 82.43 Favored Pre-proline 0 N--CA 1.498 1.93 0 CA-C-N 118.963 0.802 . . . . 75.42 113.099 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--N 1.378 2.095 0 C-N-CA 122.933 2.422 . . . . 71.2 111.43 161.813 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.472 -0.251 . . . . 73.32 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.508 ' HE3' HG11 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -119.17 149.58 41.48 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.974 -0.75 . . . . 71.33 108.974 -178.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -98.11 148.9 23.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.421 0.688 . . . . 74.55 109.357 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 pt -131.97 155.59 41.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-O 120.913 0.387 . . . . 71.03 110.365 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -107.75 121.66 45.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.043 -1.095 . . . . 75.33 108.043 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -108.21 93.15 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.094 -1.076 . . . . 73.44 108.094 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.27 94.85 2.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.688 -1.142 . . . . 74.02 109.379 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -93.95 126.23 39.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.064 0.459 . . . . 74.43 109.976 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.83 127.79 72.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 121.939 0.876 . . . . 70.01 109.807 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.72 85.61 3.61 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.042 -1.466 . . . . 74.41 107.042 171.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.456 ' HA ' ' O ' ' B' ' 107' ' ' THR . 6.8 t-105 -105.56 104.98 14.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 106.632 -1.618 . . . . 74.53 106.632 173.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HE3' HD21 ' B' ' 171' ' ' LEU . 16.8 tppt? -158.38 128.09 5.86 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.643 -0.708 . . . . 74.3 111.445 -163.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' HB3' ' B' ' 104' ' ' PHE . 8.3 m -84.14 100.52 11.2 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.749 -0.834 . . . . 73.44 108.749 173.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 5.8 mt -92.36 172.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 125.051 1.34 . . . . 74.42 108.623 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -119.32 127.42 53.18 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.342 0.657 . . . . 73.42 109.355 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.35 170.09 16.47 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.834 -0.802 . . . . 72.12 108.834 170.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -116.47 136.87 52.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.756 0.313 . . . . 73.35 110.306 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 HG21 ' HE3' ' B' ' 101' ' ' MET . 2.2 m -120.59 167.36 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.219 1.008 . . . . 72.4 109.501 170.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.2 147.94 37.33 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 108.913 -0.773 . . . . 63.22 108.913 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.55 -34.18 65.19 Favored 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 122.738 2.292 . . . . 75.12 111.978 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 m -83.86 0.4 47.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.986 0.914 . . . . 72.14 112.095 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.76 156.28 26.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.113 0.565 . . . . 71.43 110.128 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 163.24 16.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.368 0.667 . . . . 72.32 110.279 170.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 50' ' ' LEU . 41.3 mm -67.76 -24.93 31.5 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 C-N-CA 123.971 0.908 . . . . 73.42 111.065 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.03 -30.61 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.761 -0.654 . . . . 74.11 110.507 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.95 -55.45 25.75 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.893 0.477 . . . . 75.34 109.888 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.56 -36.19 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 123.337 0.398 . . . . 72.41 111.093 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -40.11 85.39 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 110.136 -0.32 . . . . 74.2 110.136 173.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.99 65.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.739 0.416 . . . . 75.42 111.413 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.1 mmpt? -78.03 -46.44 20.94 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 119.1 -0.476 . . . . 72.3 110.397 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.472 HD13 HE22 ' A' ' 41' ' ' GLN . 29.8 pt -66.54 -26.87 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.358 0.599 . . . . 73.25 110.714 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.419 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 8.6 tt0 -71.24 -43.42 67.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.185 0.994 . . . . 73.34 111.321 171.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.3 -39.4 89.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.08 0.952 . . . . 65.0 110.855 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.38 -70.84 0.62 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 114.346 -1.297 . . . . 75.23 110.329 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.4 -27.95 31.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.14 0.576 . . . . 74.32 111.617 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.86 26.96 20.81 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.19 0.306 . . . . 75.32 112.967 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 HD13 ' HB ' ' A' ' 30' ' ' ILE . 68.5 mt -76.24 109.79 9.41 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.158 0.983 . . . . 70.31 109.359 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 6.3 Cg_exo -74.45 135.56 20.38 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.872 2.381 . . . . 72.13 111.951 -174.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 17.7 Cg_endo -56.31 -44.07 49.82 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 124.382 3.388 . . . . 73.21 113.542 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.52 -4.05 37.6 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.298 -0.865 . . . . 55.21 112.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.88 17.98 8.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.88 0.872 . . . . 74.51 112.03 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' NE2' HD23 ' A' ' 43' ' ' LEU . 20.5 pt20 -131.63 158.99 39.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.244 0.618 . . . . 73.34 111.675 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -142.79 127.68 18.33 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.534 -1.284 . . . . 74.23 107.534 169.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.536 HD23 ' NE2' ' A' ' 41' ' ' GLN . 50.4 mt -97.53 124.26 41.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.781 0.833 . . . . 74.31 110.357 -172.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' C' ' 757' ' ' TYR . 34.5 mm -118.86 107.95 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.028 -0.73 . . . . 73.33 109.028 172.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -110.43 104.26 13.0 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.262 -1.014 . . . . 64.13 108.262 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.81 30.96 16.71 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.03 0.832 . . . . 65.41 112.017 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 97.2 -9.55 65.28 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-N 115.304 -0.862 . . . . 73.31 114.572 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.57 147.88 23.69 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 117.66 0.73 . . . . 74.31 110.216 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -104.74 100.01 9.65 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.538 1.135 . . . . 72.01 108.183 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.559 ' HB3' HG21 ' A' ' 23' ' ' ILE . 7.8 mp -73.38 112.05 9.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.248 -1.342 . . . . 75.34 111.846 -169.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.79 127.72 33.12 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.856 1.348 . . . . 54.04 109.569 171.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.43 -38.86 69.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.468 1.107 . . . . 75.12 112.039 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.76 7.98 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.267 -0.879 . . . . 74.11 113.473 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.43 177.46 4.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.899 0.88 . . . . 73.14 109.02 172.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -108.12 155.18 20.7 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.759 0.824 . . . . 71.3 109.646 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.48 -48.65 80.83 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.321 0.648 . . . . 62.11 110.058 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.0 t -63.15 -24.56 67.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.312 -0.858 . . . . 65.43 112.517 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.04 -37.46 74.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.18 0.592 . . . . 64.3 110.874 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.6 m-85 -96.1 -9.18 31.42 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.011 -0.366 . . . . 72.24 110.011 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.06 64.54 1.49 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.371 1.044 . . . . 71.34 109.753 -168.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 59' ' ' TYR . 1.7 mp -61.92 108.84 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 107.496 -1.298 . . . . 74.54 107.496 168.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.499 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 18.4 pt20 -85.3 164.5 17.97 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.474 -0.784 . . . . 70.24 110.039 176.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.544 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -68.47 144.62 54.59 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.696 -0.684 . . . . 74.33 111.301 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 56.26 25.78 9.69 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 125.013 1.445 . . . . 74.41 112.351 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 11.2 t -80.47 147.29 30.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.55 -0.75 . . . . 72.25 109.306 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.45 139.43 30.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.804 0.811 . . . . 65.12 111.024 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD23 HG11 ' B' ' 105' ' ' VAL . 50.6 tp -133.02 139.74 47.37 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.831 1.653 . . . . 74.52 106.869 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.623 HD13 ' SD ' ' C' ' 776' ' ' MET . 3.0 tt -118.73 135.17 60.01 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 N-CA-C 108.095 -1.076 . . . . 75.02 108.095 170.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD12 HG21 ' B' ' 107' ' ' THR . 52.8 mt -107.23 103.38 12.75 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.869 -1.059 . . . . 73.2 108.234 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.628 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.4 mp -96.91 117.94 32.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.172 -1.047 . . . . 71.21 108.172 -173.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.516 ' HG ' HG11 ' B' ' 108' ' ' VAL . 71.4 mt -69.35 171.97 7.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.442 0.297 . . . . 65.44 110.436 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -40.98 109.81 0.13 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.64 1.176 . . . . 71.05 112.692 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.585 ' HA ' HG22 ' C' ' 763' ' ' THR . 3.4 pp -67.02 -44.11 81.13 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.656 -0.498 . . . . 70.24 109.656 168.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.432 ' N ' HD13 ' A' ' 73' ' ' LEU . 75.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.018 1.727 . . . . 74.41 107.816 167.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.924 -0.47 . . . . 71.11 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.48 ' HE3' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.0 150.95 46.43 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.144 0.577 . . . . 73.41 110.235 -178.148 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.98 160.52 17.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.629 -0.714 . . . . 74.4 109.122 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.9 pt -145.14 151.16 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.585 0.754 . . . . 73.4 109.894 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.477 ' HB3' HG22 ' A' ' 12' ' ' THR . 18.3 m-85 -108.73 115.04 29.33 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 108.417 -0.957 . . . . 74.31 108.417 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.462 HG11 HD23 ' A' ' 67' ' ' LEU . 24.6 m -113.37 123.57 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 120.823 0.344 . . . . 65.43 110.868 -168.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.23 99.03 12.13 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.648 -1.241 . . . . 73.52 107.648 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.652 ' HB ' HE22 ' B' ' 109' ' ' GLN . 82.8 p -93.24 134.35 35.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.539 1.535 . . . . 73.33 110.39 -172.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -118.18 117.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.511 1.124 . . . . 71.41 109.78 175.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.652 HE22 ' HB ' ' B' ' 107' ' ' THR . 27.5 mp0 -131.85 86.42 2.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.511 0.724 . . . . 73.44 109.647 172.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -88.25 134.99 33.66 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.736 -0.838 . . . . 74.31 108.736 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -147.84 133.95 19.33 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.248 1.419 . . . . 75.11 108.558 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 26.9 m -93.84 117.66 30.39 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.129 -0.693 . . . . 71.13 109.129 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 31.0 mt -92.39 154.36 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 107.57 -1.27 . . . . 75.14 107.57 172.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 89.5 m -137.93 125.39 21.99 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.584 -1.265 . . . . 75.54 107.584 174.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -138.02 170.33 16.24 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.427 -0.953 . . . . 74.34 108.427 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 30.5 tt0 -118.64 143.1 47.05 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.808 -0.812 . . . . 64.44 108.808 171.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.508 HG11 ' HE3' ' A' ' 1' ' ' MET . 10.7 p -144.24 165.75 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 123.159 0.584 . . . . 75.54 109.876 -174.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 11.0 mm-40 -107.87 141.92 24.14 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 124.173 0.989 . . . . 75.02 110.548 -175.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.1 -40.01 54.81 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.462 2.775 . . . . 75.22 112.456 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 60.7 m -84.58 -4.47 59.0 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.359 -0.837 . . . . 71.31 111.361 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.444 ' HB3' ' ND2' ' B' ' 125' ' ' ASN . 0.6 OUTLIER -92.26 167.26 12.14 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.133 0.573 . . . . 74.51 109.897 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.5 p -97.17 160.67 14.2 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.46 1.104 . . . . 55.3 111.92 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.448 HD12 HD21 ' B' ' 156' ' ' LEU . 24.7 mm -65.97 -22.06 29.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.854 -1.521 . . . . 75.12 110.847 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.29 -21.06 59.11 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.245 1.018 . . . . 71.45 112.232 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' B' ' 121' ' ' ASP . 76.7 m-20 -64.29 -53.5 48.01 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 123.675 0.79 . . . . 72.3 109.512 171.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.64 -40.92 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.9 0.88 . . . . 72.25 109.95 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.56 -56.09 22.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 114.99 -1.005 . . . . 74.25 110.614 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.99 72.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.14 -0.936 . . . . 64.45 111.142 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.512 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.5 mmpt? -67.97 -54.4 18.85 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.55 0.531 . . . . 74.5 110.512 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.1 pt -67.37 -26.51 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 118.315 0.507 . . . . 74.23 111.131 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 9.8 tt0 -77.15 -26.65 53.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.853 0.861 . . . . 63.42 111.125 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -80.0 -46.35 16.77 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.371 0.605 . . . . 71.54 110.288 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 129' ' ' LYS . 63.6 mttm -73.57 -67.0 0.63 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.745 -1.116 . . . . 72.11 110.299 -174.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.51 -4.67 28.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.038 0.535 . . . . 74.53 111.191 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 68.76 37.1 83.85 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.024 -0.32 . . . . 73.01 113.307 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.93 105.19 7.43 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.051 0.94 . . . . 70.43 109.443 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.89 148.23 76.13 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.097 1.865 . . . . 72.15 111.674 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -44.98 -39.49 14.45 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 124.974 3.783 . . . . 72.53 114.684 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.91 -43.11 89.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.649 -1.16 . . . . 74.52 111.221 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.81 -9.41 58.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.706 0.802 . . . . 74.24 111.492 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -77.49 131.69 38.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.379 1.072 . . . . 74.53 109.932 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 11.5 ttt85 -140.44 78.42 1.65 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.611 -0.885 . . . . 74.5 108.611 166.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 107.14 5.78 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.489 -0.56 . . . . 74.4 109.489 168.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.45 133.17 44.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.416 1.086 . . . . 70.24 108.572 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.456 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 35.5 t80 -132.43 108.19 8.99 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.628 1.171 . . . . 74.14 107.924 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.01 21.97 11.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.754 0.821 . . . . 71.33 112.301 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.73 53.53 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 119.584 -0.565 . . . . 75.13 114.052 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 21.0 ptmt -135.44 127.89 30.48 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 117.595 0.697 . . . . 73.04 109.697 176.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.85 154.02 41.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.589 -0.523 . . . . 73.22 109.589 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.52 HD23 HD21 ' B' ' 167' ' ' LEU . 0.8 OUTLIER -98.58 120.67 39.4 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.451 -0.944 . . . . 75.43 108.451 175.146 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 3.4 mp0 -67.25 130.64 43.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 108.045 -1.095 . . . . 74.41 108.045 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.55 -33.97 73.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.387 0.675 . . . . 74.15 111.486 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.02 0.63 82.66 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.829 -0.623 . . . . 72.21 113.637 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 1.3 tpm_? -95.31 168.53 10.67 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.556 0.743 . . . . 73.41 109.973 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.9 m -97.77 155.12 17.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.227 0.611 . . . . 73.53 109.931 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.448 HD21 HD12 ' B' ' 123' ' ' ILE . 3.9 mm? -66.06 -46.42 77.84 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.39 0.676 . . . . 73.5 110.605 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 -25.33 67.86 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.823 -0.626 . . . . 72.52 112.054 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.19 -33.16 65.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.017 0.927 . . . . 72.24 110.557 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.409 ' HB2' HG12 ' B' ' 161' ' ' ILE . 88.4 m-85 -97.57 -9.25 27.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.492 0.717 . . . . 73.33 111.91 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 61.1 t30 60.94 49.99 5.48 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.932 0.872 . . . . 64.24 109.836 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' B' ' 159' ' ' TYR . 4.1 mm -65.91 141.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-N 114.932 -1.031 . . . . 74.32 110.065 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.88 164.74 20.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.22 0.533 . . . . 74.42 111.174 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 141.34 51.81 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 115.455 -0.793 . . . . 74.25 109.59 174.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 61.52 11.02 3.55 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.676 1.99 . . . . 73.35 113.863 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.2 p -60.87 130.55 47.01 Favored 'General case' 0 C--N 1.369 1.426 0 CA-C-N 119.138 0.881 . . . . 51.51 110.282 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.02 128.05 45.08 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.362 0.665 . . . . 63.12 110.682 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.52 HD21 HD23 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -127.97 130.78 48.94 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 106.606 -1.628 . . . . 74.34 106.606 -179.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.33 116.06 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.874 -0.787 . . . . 72.14 108.874 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.9 tp -87.3 105.67 17.4 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.576 -0.898 . . . . 73.35 108.576 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 154.62 17.93 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.255 -1.387 . . . . 64.52 107.255 173.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.744 HD21 ' HE3' ' A' ' 11' ' ' LYS . 39.3 tp -70.48 133.92 47.26 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 106.388 -1.708 . . . . 75.52 106.388 162.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 9.7 t . . . . . 0 N--CA 1.487 1.419 0 C-N-CA 126.016 1.726 . . . . 71.33 114.403 -163.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.796 -0.076 . . . . 72.45 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.47 -44.03 37.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.447 0.699 . . . . 74.4 110.807 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 3.6 pt20 -55.22 -51.78 65.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.605 0.566 . . . . 63.15 110.629 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' C' ' 746' ' ' GLN . 0.0 OUTLIER -69.98 -37.92 75.89 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 116.191 -0.458 . . . . 75.21 111.219 -178.311 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.24 -58.33 8.97 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 72.14 111.389 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -66.27 -43.97 84.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.621 -0.718 . . . . 72.01 111.05 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -47.37 81.56 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.833 0.708 . . . . 63.41 111.451 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.01 -39.02 87.0 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 118.325 0.511 . . . . 72.33 111.114 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -40.69 83.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.759 -0.83 . . . . 74.42 108.759 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.94 -40.7 96.41 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.862 1.265 . . . . 74.43 110.821 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -67.27 -36.93 82.59 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.621 -0.718 . . . . 75.14 109.74 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' C' ' 807' ' ' GLN . 30.1 t-105 -74.75 -29.69 61.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.088 -0.96 . . . . 72.22 110.548 176.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 96.9 m -62.19 -36.52 82.14 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.992 -0.744 . . . . 61.52 108.992 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.549 ' CE1' HG23 ' A' ' 44' ' ' ILE . 16.5 m-30 -62.6 -67.47 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 116.008 -0.542 . . . . 74.4 110.396 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.494 HD13 HD21 ' C' ' 777' ' ' LEU . 18.9 mt -62.54 -36.24 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 124.181 0.925 . . . . 73.24 111.675 -168.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.33 -54.72 11.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.417 -0.356 . . . . 72.21 110.296 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.515 ' HB3' HD21 ' A' ' 70' ' ' LEU . . . -67.01 -29.13 68.87 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.325 0.491 . . . . 64.41 112.325 -172.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.59 ' HG3' HD11 ' C' ' 762' ' ' LEU . 27.5 ptm -78.76 -56.16 4.62 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 118.741 -0.647 . . . . 65.4 110.017 174.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.693 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 9.1 mp -68.66 -18.14 64.22 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.41 0.892 . . . . 75.51 113.41 -172.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 763' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 73' ' ' LEU . 14.3 t -64.16 -25.35 68.04 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.609 0.64 . . . . 74.11 110.891 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -100.02 -44.01 6.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.087 0.955 . . . . 72.22 108.946 171.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.71 58.43 1.67 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.712 1.605 . . . . 74.4 111.062 -171.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.87 60.86 5.6 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.104 0.478 . . . . 74.12 111.04 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 41.0 p -179.25 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.63 1.172 . . . . 74.05 110.576 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.33 127.41 45.49 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.504 0.722 . . . . 73.32 110.374 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.5 m -63.15 141.7 58.67 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.629 0.772 . . . . 71.54 109.346 172.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 18.5 tp -46.01 -37.11 6.23 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 124.615 1.197 . . . . 72.12 112.23 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.61 -43.84 36.57 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.181 1.392 . . . . 73.24 112.876 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.605 HH11 ' HB3' ' C' ' 772' ' ' ARG . 3.3 mtp-105 -63.01 -62.8 1.47 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.662 -0.699 . . . . 71.3 111.016 -176.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' C' ' 777' ' ' LEU . 0.1 OUTLIER -71.05 -23.02 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 115.211 -0.904 . . . . 72.01 110.09 -174.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -62.38 -61.95 2.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.211 0.604 . . . . 72.12 109.637 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.53 -39.01 78.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.668 0.787 . . . . 74.24 111.228 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.623 ' SD ' HD13 ' A' ' 68' ' ' ILE . 47.5 ttm -65.86 -62.27 1.6 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.649 1.18 . . . . 75.43 111.625 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.72 ' HB3' HD23 ' C' ' 795' ' ' LEU . 4.8 tp -56.45 -43.02 79.11 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.694 0.798 . . . . 74.03 111.011 -178.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.459 ' O ' HG12 ' C' ' 781' ' ' VAL . 69.2 ttt180 -71.34 -32.37 68.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.967 -1.015 . . . . 74.13 111.08 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 47.7 ttp -56.29 -49.74 73.4 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.949 -0.759 . . . . 73.0 108.949 170.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -61.18 -39.43 90.12 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.753 0.658 . . . . 71.23 112.484 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.808 HG13 HG12 ' C' ' 790' ' ' ILE . 2.9 p -72.16 -30.48 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 111.948 0.351 . . . . 75.34 111.948 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.7 -21.82 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 112.147 0.425 . . . . 75.22 112.147 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.0 p -68.94 -24.56 64.29 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 111.899 0.333 . . . . 72.33 111.899 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.34 -178.52 15.57 Favored Glycine 0 C--O 1.24 0.5 0 N-CA-C 110.318 -1.113 . . . . 54.13 110.318 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.29 -43.96 37.17 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.453 2.102 . . . . 72.12 110.756 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 38.01 -86.11 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.637 1.975 . . . . 64.12 114.697 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 72.8 mt -133.23 21.72 4.06 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.56 1.144 . . . . 73.43 110.679 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.28 50.64 3.75 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.858 1.263 . . . . 71.35 111.318 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 42.19 99.01 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.605 1.962 . . . . 73.12 113.681 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.808 HG12 HG13 ' C' ' 781' ' ' VAL . 18.3 pt -76.71 174.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.33 0.652 . . . . 74.22 112.139 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . 0.546 ' HB3' HE21 ' C' ' 793' ' ' GLN . 37.9 t70 -121.97 178.48 4.87 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.776 0.83 . . . . 65.51 110.157 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.45 -53.13 2.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.778 1.631 . . . . 70.02 112.23 171.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . 0.546 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.7 pp0? -54.05 -35.91 62.52 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.804 0.842 . . . . 73.4 112.463 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' C' ' 790' ' ' ILE . 4.5 tp10 -85.75 -41.1 15.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.543 0.737 . . . . 73.34 110.736 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.72 HD23 ' HB3' ' C' ' 777' ' ' LEU . 0.2 OUTLIER -64.63 -55.17 21.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.303 1.041 . . . . 73.51 109.081 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -50.61 -56.62 10.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 113.997 -1.456 . . . . 73.14 109.294 170.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -48.24 -41.42 23.44 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 124.398 1.061 . . . . 73.31 114.077 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.42 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 45.5 t80 -66.05 -57.48 7.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.135 0.974 . . . . 72.22 111.171 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.82 -37.19 73.2 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.857 -1.065 . . . . 73.51 109.968 -170.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -70.53 -32.29 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.962 -0.563 . . . . 75.54 109.626 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -58.13 -48.09 81.29 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 109.668 -0.493 . . . . 75.32 109.668 170.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -54.64 -41.34 69.96 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 123.527 0.517 . . . . 73.32 111.614 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 64.7 t -59.31 -42.81 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 CA-C-O 120.754 0.311 . . . . 73.02 111.27 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -73.86 -23.37 59.6 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.754 0.422 . . . . 75.54 111.421 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.15 4.65 41.49 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.615 1.166 . . . . 71.11 110.967 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 64.02 13.67 7.89 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.216 1.406 . . . . 72.35 111.135 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . 0.497 ' HG2' ' CZ2' ' C' ' 755' ' ' TRP . 26.5 tt0 -102.2 9.04 40.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.754 1.222 . . . . 62.32 110.798 -173.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 0.0 OUTLIER -161.89 142.74 10.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.26 -1.755 . . . . 75.3 106.26 176.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 79.0 t -111.72 129.45 67.11 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 109.21 -0.663 . . . . 74.51 109.21 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -93.1 109.94 21.42 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.896 -1.15 . . . . 75.34 107.896 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.541 ' HB3' HG12 ' C' ' 814' ' ' VAL . 21.8 t -79.3 -157.17 0.12 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.008 -0.738 . . . . 60.33 109.008 172.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.84 76.33 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.022 0.529 . . . . 51.3 111.15 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.76 75.8 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.46 -0.791 . . . . 71.44 112.399 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.541 HG12 ' HB3' ' C' ' 811' ' ' SER . 5.0 p -145.38 140.89 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.734 -0.839 . . . . 72.25 108.734 178.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.31 147.32 23.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.763 0.316 . . . . 73.34 111.072 -175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -156.42 132.08 9.56 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.197 -0.91 . . . . 72.41 109.736 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.693 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 11.9 tp -78.92 132.18 64.81 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 119.347 -0.358 . . . . 73.43 110.489 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 CA--C 1.555 1.538 0 C-N-CA 121.999 1.8 . . . . 75.54 111.643 170.395 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 111.788 -0.525 . . . . 54.43 111.788 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.3 159.05 28.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 72.42 109.421 -175.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.474 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 1.2 mp0 -91.12 157.09 17.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.082 0.468 . . . . 74.33 111.457 -171.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.503 HD11 HG11 ' B' ' 117' ' ' VAL . 31.1 mt -135.1 152.03 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 N-CA-C 108.521 -0.918 . . . . 70.41 108.521 164.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -104.77 131.22 52.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.761 0.824 . . . . 71.44 108.894 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.725 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 57.4 t -102.54 95.11 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.912 -0.773 . . . . 75.2 108.912 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.83 94.6 9.88 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 -172.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.624 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 4.5 t -92.7 108.85 20.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.031 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.516 HG23 HD13 ' C' ' 765' ' ' LEU . 9.7 p -102.18 123.04 55.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 121.946 0.879 . . . . 75.23 110.134 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -107.91 84.53 1.97 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.801 -1.09 . . . . 74.11 108.723 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.491 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 57.7 t-105 -90.15 104.33 16.92 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 106.006 -1.85 . . . . 63.32 106.006 168.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.32 139.96 18.87 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.509 0.505 . . . . 73.41 111.221 -168.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.6 m -83.03 125.15 31.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.776 . . . . 75.21 109.323 174.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' B' ' 105' ' ' VAL . 45.6 mm -92.89 160.74 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 107.807 -1.183 . . . . 72.11 107.807 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.3 m -132.43 121.68 23.79 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.092 -1.077 . . . . 72.13 108.092 170.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.5 pp -117.02 170.98 8.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.889 -0.782 . . . . 62.33 108.889 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -126.67 127.41 45.12 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.109 -1.071 . . . . 73.04 108.109 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' B' ' 101' ' ' MET . 11.3 p -144.85 173.71 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.804 0.842 . . . . 72.34 109.885 -173.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -116.45 146.77 38.19 Favored Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 123.518 0.727 . . . . 64.54 109.522 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 30.0 Cg_endo -62.15 -30.08 81.7 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.542 2.161 . . . . 65.1 113.182 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -78.66 -13.11 59.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.073 0.549 . . . . 72.34 112.045 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.433 ' HB3' HD21 ' A' ' 25' ' ' ASN . 95.8 m-20 -72.04 163.03 28.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 122.729 0.412 . . . . 61.32 110.188 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.84 159.24 18.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.354 0.597 . . . . 63.14 110.805 173.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.703 HG21 ' HB3' ' A' ' 50' ' ' LEU . 44.7 mm -69.53 -27.32 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.454 -1.248 . . . . 73.42 110.336 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.07 -27.16 69.2 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 122.918 0.487 . . . . 75.54 111.355 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.433 HD21 ' HB3' ' A' ' 21' ' ' ASP . 50.4 m-20 -68.3 -45.19 73.68 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.743 0.652 . . . . 74.54 110.337 174.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.45 HG23 HD12 ' A' ' 56' ' ' LEU . 85.3 t -61.14 -48.07 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.922 0.889 . . . . 65.24 109.945 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.57 -48.29 81.41 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.638 -1.619 . . . . 64.11 110.857 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.98 -33.21 70.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.467 -0.788 . . . . 74.55 111.652 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.555 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.4 ptpt -76.88 -38.2 54.06 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.133 0.424 . . . . 73.41 110.901 -177.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.57 ' HB ' HD13 ' A' ' 36' ' ' ILE . 32.8 pt -69.82 -33.68 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 121.007 0.432 . . . . 75.04 110.058 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -65.64 -41.08 93.0 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.467 -0.788 . . . . 74.35 111.457 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.69 -50.82 47.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.74 0.816 . . . . 74.42 110.85 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.25 -56.38 3.8 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.645 -1.161 . . . . 74.21 111.597 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -87.86 -17.13 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 122.677 0.391 . . . . 75.43 111.59 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.98 43.3 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 112.392 -0.283 . . . . 74.42 112.392 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.57 HD13 ' HB ' ' A' ' 30' ' ' ILE . 93.0 mt -79.12 114.57 45.65 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.526 1.13 . . . . 73.3 110.804 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HB2' ' HG3' ' A' ' 40' ' ' GLN . 5.7 Cg_exo -81.05 107.32 1.89 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.61 2.207 . . . . 72.15 110.047 172.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.18 -34.72 88.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.97 2.447 . . . . 75.15 114.321 -169.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.59 -47.02 77.15 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.26 -0.882 . . . . 72.11 111.827 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.498 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -89.25 -5.21 57.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.669 0.248 . . . . 74.34 111.669 -177.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.471 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 9.6 tt0 -131.55 90.06 2.8 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.17 -1.048 . . . . 72.24 108.17 175.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.76 125.82 29.92 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.863 -1.062 . . . . 72.4 111.066 -170.273 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.591 HD23 HD22 ' A' ' 67' ' ' LEU . 4.6 mp -87.18 138.85 31.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.871 0.868 . . . . 74.44 110.741 -174.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.72 121.6 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 108.372 -0.973 . . . . 74.44 108.372 172.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HB2' HD22 ' A' ' 50' ' ' LEU . 1.6 t80 -109.56 114.96 29.03 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.736 -1.209 . . . . 73.12 107.736 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.46 9.07 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.158 0.799 . . . . 71.13 113.158 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 91.58 22.49 31.24 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 116.436 -0.347 . . . . 75.52 113.571 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -136.87 136.0 38.33 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.107 0.563 . . . . 75.22 110.603 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.85 132.15 35.44 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.128 0.971 . . . . 74.41 110.346 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.0 mm? -87.85 104.94 17.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.866 0.867 . . . . 75.12 111.094 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -79.86 121.11 25.0 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.698 -0.852 . . . . 75.24 108.698 163.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.584 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p-10 -64.13 -23.42 67.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.573 0.749 . . . . 72.42 112.48 -173.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.31 0.18 81.1 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 124.145 0.903 . . . . 64.33 114.292 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.48 176.4 5.16 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 117.788 0.794 . . . . 73.45 109.223 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 p -101.6 164.59 11.67 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.962 -0.384 . . . . 72.52 109.962 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.8 mm? -60.47 -35.72 76.58 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 109.246 -0.65 . . . . 74.5 109.246 174.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -63.3 -34.18 77.12 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.892 1.277 . . . . 64.33 112.587 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.45 -29.93 64.62 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.538 0.685 . . . . 65.14 111.084 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.484 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.1 m-85 -102.1 -1.85 30.68 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.453 -0.794 . . . . 72.34 111.153 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t30 59.41 39.78 21.65 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.413 1.085 . . . . 75.33 110.213 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 HG13 ' HB2' ' A' ' 59' ' ' TYR . 99.5 mt -71.99 98.29 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.21 -0.905 . . . . 74.31 109.868 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.97 -179.07 4.56 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.398 1.079 . . . . 73.42 109.534 174.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HE3' ' NE2' ' B' ' 102' ' ' GLN . 20.0 ptmt -73.88 148.13 42.59 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.772 0.656 . . . . 65.22 112.772 -170.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 54.59 31.16 14.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.591 -1.641 . . . . 54.54 112.25 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -85.41 164.65 17.78 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.295 -0.866 . . . . 72.33 108.749 172.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.96 124.74 50.12 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.066 0.936 . . . . 74.22 112.29 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.591 HD22 HD23 ' A' ' 43' ' ' LEU . 55.7 tp -105.04 147.85 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.871 2.068 . . . . 74.45 107.586 171.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' C' ' 776' ' ' MET . 8.1 tt -126.46 144.59 36.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-O 121.561 0.696 . . . . 73.55 109.637 169.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -105.92 117.19 33.39 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.653 1.181 . . . . 73.54 108.734 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -96.25 115.66 27.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.698 -1.223 . . . . 74.01 107.698 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.552 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 10.3 tt -72.53 156.53 38.92 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.234 -0.654 . . . . 73.15 109.234 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -33.67 102.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.535 1.534 . . . . 75.23 112.95 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.515 HD22 ' HG3' ' A' ' 74' ' ' ARG . 6.1 tt -63.78 -56.73 13.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.389 -1.278 . . . . 70.4 109.371 -174.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG3' HD22 ' A' ' 73' ' ' LEU . 18.5 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-N 114.792 -1.094 . . . . 74.34 109.449 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.18 -0.768 . . . . 74.45 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -131.2 149.85 52.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.324 1.449 . . . . 74.23 109.553 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.423 ' H ' HE21 ' B' ' 102' ' ' GLN . 0.0 OUTLIER -109.56 124.3 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.948 -1.13 . . . . 74.22 107.948 -177.247 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.407 HD12 ' HE2' ' A' ' 45' ' ' PHE . 25.3 pt -118.61 157.21 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.849 0.46 . . . . 74.51 110.54 -169.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.42 131.28 45.54 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 108.691 -0.855 . . . . 74.1 108.691 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.498 HG21 HD23 ' A' ' 15' ' ' LEU . 76.6 t -124.77 98.73 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.142 -1.058 . . . . 72.12 108.142 -173.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.42 121.85 27.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.064 -0.717 . . . . 74.42 109.064 -169.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.688 HG22 HD22 ' A' ' 69' ' ' LEU . 66.4 p -123.77 141.45 52.01 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 123.869 0.868 . . . . 75.44 110.934 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.491 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 5.9 p -121.29 121.85 65.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 123.687 0.795 . . . . 72.15 109.498 170.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -128.89 88.41 2.72 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.425 -0.583 . . . . 73.31 109.425 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -83.84 128.66 34.7 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.137 -1.431 . . . . 71.13 107.137 168.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -136.46 112.76 9.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.073 0.949 . . . . 75.11 108.8 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -79.98 112.14 17.0 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.195 -0.668 . . . . 74.12 109.195 173.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.725 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 21.6 mt -94.11 169.24 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 107.344 -1.354 . . . . 71.21 107.344 172.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 44.4 m -143.44 133.07 23.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.369 -0.604 . . . . 72.55 109.369 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -137.12 168.24 19.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.175 0.99 . . . . 74.43 109.345 173.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 25.2 mt-10 -117.15 140.22 49.78 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.245 0.618 . . . . 73.44 109.705 168.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 3' ' ' ILE . 1.9 p -136.02 176.72 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 C-N-CA 124.88 1.272 . . . . 74.3 108.606 -172.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.54 154.89 79.52 Favored Pre-proline 0 N--CA 1.485 1.307 0 N-CA-C 108.821 -0.807 . . . . 63.32 108.821 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.59 -21.95 33.54 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.242 1.295 . . . . 74.2 112.335 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.9 m -84.36 -16.24 43.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 74.22 112.875 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . 0.436 ' OD2' HG22 ' B' ' 117' ' ' VAL . 0.8 OUTLIER -89.74 174.64 7.61 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 119.219 0.918 . . . . 71.41 110.923 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.4 p -104.05 155.05 18.99 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.162 0.985 . . . . 74.32 112.173 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 32.0 mm -57.81 -30.26 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.974 -1.467 . . . . 73.12 111.163 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.01 -35.7 67.13 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.714 0.806 . . . . 73.01 111.041 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -66.16 -46.34 77.77 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.098 0.874 . . . . 64.54 110.029 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.65 -51.21 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.719 0.808 . . . . 71.24 110.161 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.597 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -69.15 -32.89 72.55 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.521 -0.763 . . . . 75.12 111.32 -177.043 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.99 66.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.508 0.323 . . . . 75.24 111.784 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.6 mmpt? -75.04 -41.28 59.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.419 0.287 . . . . 72.21 111.337 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.501 ' HB ' HD13 ' B' ' 136' ' ' ILE . 24.8 pt -70.47 -30.01 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 109.862 -0.421 . . . . 73.12 109.862 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.493 HE21 ' HA ' ' B' ' 137' ' ' PRO . 34.6 tt0 -68.38 -37.71 80.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.103 0.561 . . . . 71.43 111.325 171.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.33 -53.29 20.33 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.129 0.571 . . . . 71.14 110.811 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -77.33 -51.86 10.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.501 -0.772 . . . . 74.53 110.796 -172.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -103.18 -10.2 18.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.828 -0.624 . . . . 75.15 112.016 -166.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.26 30.27 63.02 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 120.068 -0.296 . . . . 75.25 112.785 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . 0.501 HD13 ' HB ' ' B' ' 130' ' ' ILE . 93.7 mt -85.61 107.37 12.22 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 124.582 1.153 . . . . 75.13 110.791 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.493 ' HA ' HE21 ' B' ' 131' ' ' GLN . 4.3 Cg_exo -81.18 118.7 3.36 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.178 1.919 . . . . 61.21 109.406 172.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.597 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 9.9 Cg_endo -48.44 -35.18 27.7 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 123.766 2.977 . . . . 71.02 113.832 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.19 -46.21 81.68 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 115.297 -0.865 . . . . 75.11 112.015 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.51 ' NE2' ' HG3' ' B' ' 141' ' ' GLN . 0.0 OUTLIER -84.7 -39.29 18.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.411 0.684 . . . . 74.33 111.56 -172.34 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.51 ' HG3' ' NE2' ' B' ' 140' ' ' GLN . 44.7 mt-30 -105.05 105.89 16.13 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.593 -1.262 . . . . 75.22 107.593 168.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 115.86 16.5 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 124.961 1.304 . . . . 74.33 109.642 -173.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.02 100.92 11.99 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.4 -0.593 . . . . 74.23 109.4 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.33 125.49 51.04 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.514 -0.921 . . . . 72.0 108.514 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -109.07 103.15 12.1 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.907 -0.775 . . . . 64.14 108.907 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.7 29.64 16.15 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.304 1.042 . . . . 73.42 113.087 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.89 46.18 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 116.56 -0.291 . . . . 75.23 113.437 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -141.55 114.89 8.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.854 0.862 . . . . 72.21 109.347 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 156.25 32.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.08 0.552 . . . . 74.45 111.253 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.497 HD11 HD22 ' B' ' 167' ' ' LEU . 61.1 mt -99.85 141.83 32.14 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.521 0.729 . . . . 65.1 110.881 -176.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.656 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 43.6 mt-10 -87.42 127.83 35.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.684 -1.228 . . . . 72.04 107.684 163.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.15 -32.63 72.35 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.048 0.539 . . . . 72.31 110.985 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.6 5.43 78.22 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.384 -0.676 . . . . 71.42 114.109 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 8.1 tpt180 -91.58 173.65 7.77 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.084 0.942 . . . . 74.52 109.563 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.0 m -106.18 154.92 20.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.599 0.759 . . . . 75.21 109.15 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.403 ' CD1' HG13 ' B' ' 161' ' ' ILE . 4.5 mm? -62.34 -43.01 99.81 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.201 0.6 . . . . 72.21 110.867 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.3 t -63.19 -24.77 68.03 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.136 0.791 . . . . 74.24 113.136 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -54.07 -42.04 68.84 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.458 0.647 . . . . 74.53 110.56 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -90.53 -5.48 55.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.895 -1.048 . . . . 72.14 110.252 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 56.33 50.58 12.98 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 124.57 1.148 . . . . 71.44 109.972 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.403 HG13 ' CD1' ' B' ' 156' ' ' LEU . 14.0 mm -61.26 114.47 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 114.061 -1.427 . . . . 74.44 110.132 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . 0.407 ' HG3' ' HG ' ' B' ' 165' ' ' SER . 10.0 pt20 -96.3 164.3 12.71 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-O 121.192 0.52 . . . . 70.44 109.763 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -60.44 128.67 37.84 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.51 -0.768 . . . . 71.04 109.567 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 73.68 25.66 1.99 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.559 1.144 . . . . 74.21 110.554 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' B' ' 145' ' ' PHE . 74.5 m -64.83 158.88 23.85 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 109.0 -0.741 . . . . 72.53 109.0 161.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -140.02 135.46 32.69 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.092 0.405 . . . . 72.11 111.52 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.497 HD22 HD11 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -113.08 136.59 52.53 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.915 0.886 . . . . 70.43 109.589 172.434 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.5 pt -96.52 124.08 49.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.071 0.938 . . . . 74.43 109.119 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 9.6 mp -81.93 103.26 11.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.549 -1.205 . . . . 75.3 109.282 171.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.56 161.47 14.35 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.586 -1.265 . . . . 71.34 107.586 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.09 150.53 47.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.796 0.725 . . . . 72.44 110.471 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.3 t . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 126.239 1.816 . . . . 73.01 114.345 -173.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.682 0.277 . . . . 74.0 110.801 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 25.6 t0 -78.47 -47.01 18.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.877 0.871 . . . . 63.14 111.163 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -47.07 -48.82 22.45 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.283 1.033 . . . . 71.31 111.829 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . 0.684 ' HA ' HD21 ' C' ' 787' ' ' LEU . 17.7 ptmt -76.17 -42.66 45.8 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.747 -1.115 . . . . 72.42 110.618 -171.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.41 -54.67 44.04 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.1 0.875 . . . . 55.51 111.501 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.2 pt-20 -67.2 -30.89 70.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.726 0.641 . . . . 73.43 110.855 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . 0.473 ' HG2' ' HG ' ' C' ' 787' ' ' LEU . 6.3 tp10 -65.39 -43.86 89.34 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 123.415 0.447 . . . . 73.41 110.103 174.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.68 -32.82 74.59 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.799 0.839 . . . . 73.1 110.801 176.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.4 -36.26 73.95 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.822 -0.807 . . . . 74.01 108.822 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -45.14 84.78 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.299 0.64 . . . . 72.42 110.404 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.571 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 33.0 m-85 -58.97 -42.79 90.76 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 123.508 0.505 . . . . 71.32 110.227 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -70.1 -26.66 64.08 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.063 -0.971 . . . . 74.14 111.24 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 80.8 m -67.5 -35.76 79.76 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.09 -0.707 . . . . 74.31 109.09 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.571 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 44.5 m-85 -63.5 -60.53 3.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 71.42 110.508 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 754' ' ' PHE . 15.0 mt -64.42 -34.56 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 124.135 0.897 . . . . 75.24 111.796 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -75.46 -46.51 32.11 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.668 -0.493 . . . . 73.1 109.668 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.4 62.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.311 0.644 . . . . 71.4 111.883 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.723 ' HE2' HD22 ' C' ' 768' ' ' LEU . 23.7 ttt -73.31 -59.71 2.58 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.823 -1.177 . . . . 72.22 107.823 172.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.848 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 27.8 mt -71.9 -17.96 62.07 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.703 1.201 . . . . 75.24 113.13 -172.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 763' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 73' ' ' LEU . 6.1 t -69.93 -16.31 63.19 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.279 0.632 . . . . 64.31 111.583 -177.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . 0.552 ' ND2' ' HB3' ' A' ' 71' ' ' LEU . 2.4 p30 -127.2 -51.11 1.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.222 1.009 . . . . 74.44 109.204 173.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 8' ' ' VAL . 13.4 tp -82.59 64.75 7.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.442 1.497 . . . . 75.03 108.596 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -84.32 53.08 2.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.98 -1.009 . . . . 71.54 111.011 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 27.8 p 178.74 110.12 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.747 1.219 . . . . 74.43 109.854 176.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . 0.723 HD22 ' HE2' ' C' ' 761' ' ' MET . 1.8 pp -163.8 156.6 18.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.655 0.382 . . . . 71.55 111.369 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.7 t -78.99 155.71 28.77 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 123.283 0.633 . . . . 74.53 109.724 169.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.417 HD13 ' O ' ' C' ' 770' ' ' LEU . 7.6 tp -63.25 -27.4 69.32 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.617 -0.719 . . . . 73.41 110.39 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.53 -43.46 62.31 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 118.224 0.466 . . . . 73.12 111.795 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -64.37 -61.33 2.3 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.808 0.843 . . . . 74.14 111.633 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -35.89 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 115.385 -0.825 . . . . 73.03 111.35 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.558 ' HH ' HD21 ' C' ' 792' ' ' LEU . 58.1 t80 -65.15 -51.63 60.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.474 0.71 . . . . 75.25 109.768 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -50.79 -46.9 59.85 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 124.205 0.941 . . . . 65.13 111.796 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.506 ' SD ' HD12 ' A' ' 68' ' ' ILE . 30.5 mtm -65.71 -52.01 54.74 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.525 0.516 . . . . 72.24 111.279 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' C' ' 790' ' ' ILE . 6.4 mp -54.4 -36.51 64.02 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.018 0.437 . . . . 71.44 111.45 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' C' ' 781' ' ' VAL . 20.9 mmm180 -67.54 -49.9 61.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.137 -0.938 . . . . 73.4 111.468 177.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 779' ' ' MET . . . . . 0.464 ' HG2' ' HA ' ' C' ' 776' ' ' MET . 11.6 ptm -58.72 -41.28 86.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 118.178 0.445 . . . . 74.12 110.203 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -71.97 -29.77 64.58 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.385 0.513 . . . . 75.14 112.385 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' C' ' 778' ' ' ARG . 4.2 p -81.01 -26.19 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 117.947 0.34 . . . . 74.14 111.835 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' C' ' 789' ' ' GLU . 21.6 m -92.9 -23.35 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 112.883 0.697 . . . . 65.45 112.883 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 4.7 p -65.22 -18.06 65.0 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.104 0.478 . . . . 74.03 111.541 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -136.5 178.28 18.95 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 109.999 -1.241 . . . . 70.44 109.999 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -58.64 -38.82 87.47 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.928 1.752 . . . . 65.15 111.081 167.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 42.19 -81.17 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.514 1.926 . . . . 72.42 114.412 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . 0.684 HD21 ' HA ' ' C' ' 747' ' ' LYS . 86.3 mt -140.18 29.95 2.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.291 1.037 . . . . 74.51 111.381 -176.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.29 33.13 20.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.283 1.033 . . . . 44.15 111.587 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . 0.501 ' HG2' HG11 ' C' ' 782' ' ' VAL . 73.5 mt-10 69.76 118.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.651 1.581 . . . . 72.4 111.575 -171.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' C' ' 777' ' ' LEU . 11.6 pt -72.34 154.71 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.626 0.77 . . . . 71.34 110.563 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -105.54 168.54 9.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.907 -1.042 . . . . 71.5 109.736 -168.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . 0.558 HD21 ' HH ' ' C' ' 774' ' ' TYR . 4.4 mm? -68.43 -36.83 79.63 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.409 0.684 . . . . 63.01 111.709 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -76.83 -22.08 54.12 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.561 0.619 . . . . 73.4 110.887 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.36 -46.09 61.29 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.136 0.493 . . . . 73.04 109.769 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.461 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -63.2 -57.66 9.77 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.774 1.23 . . . . 75.01 109.405 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -57.72 -45.62 85.51 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 113.632 -1.622 . . . . 74.5 110.516 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.47 -39.47 96.36 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 124.096 0.873 . . . . 43.04 112.972 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.19 -53.32 56.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.939 0.896 . . . . 75.35 109.932 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 66.1 mt -66.23 -40.82 90.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.122 -1.399 . . . . 74.12 111.995 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -44.07 94.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.495 1.118 . . . . 74.3 109.52 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -55.56 33.56 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.326 1.016 . . . . 75.13 109.855 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.4 mmtt -52.27 -44.73 65.1 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 123.988 0.805 . . . . 72.34 112.971 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 75.9 t -64.88 -46.34 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.868 0.467 . . . . 75.22 110.919 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -80.07 -6.34 57.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.321 0.648 . . . . 64.0 111.958 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.72 -8.14 56.44 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.328 1.051 . . . . 70.31 110.749 172.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 70.0 13.49 7.87 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.811 1.644 . . . . 72.44 111.352 -173.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -79.36 -42.93 24.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.516 1.126 . . . . 70.24 109.353 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.7 OUTLIER -122.34 148.2 45.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.26 1.024 . . . . 72.15 108.565 -172.273 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 52.6 t -106.9 124.25 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.438 0.695 . . . . 74.34 109.422 171.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -97.21 114.15 25.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 106.909 -1.515 . . . . 70.13 106.909 167.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 44.4 m -90.35 -142.39 0.16 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 108.35 -0.981 . . . . 72.2 108.35 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.88 72.75 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.667 0.667 . . . . 70.12 110.731 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.82 76.74 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.599 -0.728 . . . . 65.34 113.884 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.41 157.09 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.096 0.558 . . . . 64.11 110.123 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -108.37 144.64 35.66 Favored 'General case' 0 C--O 1.25 1.082 0 C-N-CA 123.169 0.588 . . . . 72.33 110.758 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -156.18 139.04 15.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.556 -1.202 . . . . 74.34 109.426 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.848 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 3.1 tp -85.27 122.03 73.8 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.297 -0.631 . . . . 73.33 109.297 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--N 1.369 1.656 0 C-N-CA 121.989 1.793 . . . . 62.14 110.108 170.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 110.767 -0.933 . . . . 64.2 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.449 ' HE2' HG12 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -112.63 145.84 39.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.024 0.929 . . . . 63.42 109.328 -176.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -109.0 125.82 52.46 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.696 -0.483 . . . . 72.3 109.696 -172.309 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 156.98 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 74.31 110.899 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.7 m-85 -106.92 118.98 38.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.897 0.879 . . . . 71.11 108.972 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.8 t -110.15 98.94 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 108.757 -0.831 . . . . 73.2 108.757 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.05 99.01 4.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.784 0.833 . . . . 71.35 109.588 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' B' ' 169' ' ' LEU . 7.8 t -89.38 132.92 34.74 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 109.016 -0.735 . . . . 63.43 109.016 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.36 146.51 10.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.886 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' B' ' 109' ' ' GLN . 74.2 mt-30 -135.35 83.59 2.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.289 -1.374 . . . . 75.33 107.289 168.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HD1' ' HE ' ' C' ' 772' ' ' ARG . 9.7 t-105 -105.07 104.03 13.68 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 106.553 -1.647 . . . . 74.52 106.553 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -157.8 144.4 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.708 -0.678 . . . . 74.24 111.558 -163.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' HB3' ' B' ' 104' ' ' PHE . 1.8 m -88.86 122.67 32.48 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.808 -0.812 . . . . 71.44 108.808 174.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.26 133.02 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.236 . . . . 73.32 108.611 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -99.22 112.79 24.87 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.603 -0.517 . . . . 74.33 109.603 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.7 HD21 HG11 ' B' ' 105' ' ' VAL . 1.4 pt? -132.46 170.91 14.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.101 0.96 . . . . 73.03 109.356 -178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.26 149.34 26.98 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.408 0.623 . . . . 75.14 110.152 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG13 ' HE2' ' B' ' 101' ' ' MET . 8.7 p -142.97 155.23 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.134 -1.394 . . . . 62.43 109.26 169.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.94 135.13 20.5 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.98 0.912 . . . . 65.42 109.672 -170.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.03 -38.41 94.79 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.845 3.03 . . . . 73.11 114.481 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 m -82.37 -6.81 59.51 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.033 -0.53 . . . . 62.31 111.456 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB3' HD21 ' A' ' 25' ' ' ASN . 2.6 m-20 -81.36 151.93 27.74 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 122.705 0.402 . . . . 72.33 110.447 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -79.04 166.31 22.45 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.79 0.681 . . . . 64.03 111.389 173.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.739 HG21 ' HB3' ' A' ' 50' ' ' LEU . 39.5 mm -74.38 -28.62 22.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.773 -1.103 . . . . 75.11 110.106 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.98 -28.47 51.94 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.969 0.907 . . . . 74.21 111.536 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.461 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 87.1 m-20 -65.51 -50.52 64.95 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 124.124 0.97 . . . . 73.35 110.535 174.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.6 -41.87 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.604 0.762 . . . . 75.42 110.233 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HG3' ' NE2' ' A' ' 41' ' ' GLN . 32.5 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.819 1.248 . . . . 73.11 110.54 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.84 -26.42 64.21 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 114.621 -1.172 . . . . 54.42 111.302 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -74.91 -42.6 57.47 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 122.842 0.457 . . . . 73.11 110.755 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.505 ' HB ' HD13 ' A' ' 36' ' ' ILE . 32.9 pt -69.31 -34.52 63.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 109.987 -0.375 . . . . 64.03 109.987 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.63 -39.54 80.74 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.596 0.236 . . . . 75.41 111.159 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.52 -50.52 58.37 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.578 0.751 . . . . 51.01 111.223 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -80.5 -57.43 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.289 -0.869 . . . . 73.21 110.298 -175.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.73 -24.14 20.48 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.165 0.586 . . . . 74.42 112.008 -168.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.14 36.09 36.35 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 112.198 -0.361 . . . . 73.53 112.198 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.505 HD13 ' HB ' ' A' ' 30' ' ' ILE . 90.3 mt -82.74 117.39 68.38 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.909 0.884 . . . . 74.33 109.127 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 26.8 Cg_endo -61.59 114.29 2.19 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.899 2.399 . . . . 74.41 111.579 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 10.1 Cg_endo -51.08 -40.48 59.47 Favored 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 124.123 3.216 . . . . 75.32 112.952 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.92 -38.71 86.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.361 -1.29 . . . . 73.03 112.223 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.453 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 20.1 mt-30 -97.51 4.97 50.25 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.452 0.701 . . . . 70.21 112.044 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' NE2' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -92.11 135.14 34.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.412 1.085 . . . . 75.22 110.669 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.8 76.89 1.75 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.365 1.066 . . . . 72.4 109.19 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 30' ' ' ILE . 39.9 mt -71.91 135.38 46.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.939 0.496 . . . . 74.42 109.943 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -132.48 121.4 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 108.407 -0.96 . . . . 73.35 108.407 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.0 t80 -109.71 116.22 31.3 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.286 1.034 . . . . 71.05 108.808 -173.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 20.56 6.19 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.922 0.889 . . . . 73.24 112.925 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.27 27.11 26.36 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.403 -0.362 . . . . 55.24 113.518 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -135.13 134.24 40.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.978 0.911 . . . . 74.44 110.06 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -81.45 133.2 35.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.345 0.658 . . . . 74.54 110.165 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.739 ' HB3' HG21 ' A' ' 23' ' ' ILE . 3.4 mm? -78.12 105.93 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.301 1.04 . . . . 74.41 111.455 -173.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.585 ' HB2' ' HH ' ' A' ' 59' ' ' TYR . 50.1 mm-40 -78.58 124.61 28.35 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.874 0.87 . . . . 75.22 109.842 170.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.93 -44.1 78.03 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.316 -1.311 . . . . 75.24 112.804 -169.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.04 14.02 61.7 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 115.126 -0.943 . . . . 63.34 114.359 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.69 170.03 9.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.641 0.72 . . . . 64.44 109.118 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.8 p -101.55 168.72 9.31 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 121.041 0.448 . . . . 74.23 110.187 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.44 -41.78 88.66 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 115.174 -0.921 . . . . 71.3 108.754 174.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -69.12 -29.96 68.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.504 0.322 . . . . 70.05 110.963 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.0 -31.08 68.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.545 0.738 . . . . 73.44 110.191 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' HH ' ' HB2' ' A' ' 51' ' ' GLU . 3.1 m-85 -95.71 -3.36 46.11 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 114.777 -1.101 . . . . 74.44 111.513 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t30 52.18 50.38 18.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.249 1.019 . . . . 75.45 109.325 -175.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.3 mm -64.77 98.61 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 114.121 -1.4 . . . . 75.23 108.059 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 19.0 pt20 -78.45 165.86 23.29 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.673 -0.694 . . . . 75.44 110.611 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.2 ttmt -68.51 135.42 51.57 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.377 -0.829 . . . . 73.3 109.889 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 37.9 mt-10 61.57 34.3 17.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.78 1.232 . . . . 75.34 111.937 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.457 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 8.1 t -85.4 167.26 15.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.298 -0.864 . . . . 75.53 109.411 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB1' ' HE3' ' C' ' 779' ' ' MET . . . -115.71 139.44 50.15 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.55 0.69 . . . . 74.42 111.365 -174.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.1 tp -123.63 145.04 49.23 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.988 1.715 . . . . 71.02 107.673 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.466 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 7.5 tt -122.7 135.75 61.75 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 109.338 -0.616 . . . . 74.33 109.338 170.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -95.66 114.08 25.79 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.261 0.625 . . . . 75.11 109.413 173.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' C' ' 760' ' ' ALA . 3.5 mp -97.18 153.07 18.22 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.02 -1.845 . . . . 73.31 106.02 166.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -108.41 173.72 6.2 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 109.241 -0.651 . . . . 72.02 109.241 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.98 109.14 0.29 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.761 0.663 . . . . 75.23 110.44 173.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.554 ' HA ' HG22 ' C' ' 763' ' ' THR . 2.5 pt? -62.9 -16.5 59.22 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 124.132 0.895 . . . . 71.31 112.244 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 108.797 -0.816 . . . . 74.34 108.797 172.46 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.009 -0.836 . . . . 65.45 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.508 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -95.63 152.01 18.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.135 -0.691 . . . . 74.4 109.135 175.363 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -83.77 153.58 24.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.316 -0.994 . . . . 63.33 108.316 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.9 pt -143.46 157.84 16.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 123.652 0.781 . . . . 74.21 109.81 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.407 ' HB3' HG23 ' A' ' 12' ' ' THR . 20.7 m-85 -116.7 107.66 14.95 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.73 -1.211 . . . . 71.34 107.73 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.7 HG11 HD21 ' A' ' 15' ' ' LEU . 16.0 m -101.06 123.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.058 0.456 . . . . 74.35 110.923 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 5.0 m-20 -83.28 97.99 9.18 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.735 -1.209 . . . . 74.3 107.735 175.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 t -93.88 140.42 29.71 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 115.475 -0.784 . . . . 65.52 110.37 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.94 117.16 54.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-N 114.276 -1.329 . . . . 73.22 107.664 171.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.673 ' HB3' ' HB2' ' A' ' 9' ' ' GLN . 6.7 tp-100 -138.46 102.66 4.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.542 0.737 . . . . 74.44 109.531 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -107.61 132.83 52.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.563 0.745 . . . . 62.42 109.116 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -130.35 116.4 18.24 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.597 0.759 . . . . 75.22 110.349 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 m -81.32 111.32 17.59 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.135 -0.691 . . . . 75.42 109.135 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 48.1 mt -89.99 156.94 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 107.443 -1.317 . . . . 74.11 107.443 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 52.1 m -142.47 111.56 6.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.931 -0.766 . . . . 71.31 108.931 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.57 139.34 42.1 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.751 -0.659 . . . . 73.31 109.827 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 39.4 tt0 -81.68 141.65 33.42 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.234 -0.654 . . . . 74.11 109.234 174.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.449 HG12 ' HE2' ' A' ' 1' ' ' MET . 12.3 p -142.64 164.67 16.96 Favored 'Isoleucine or valine' 0 C--O 1.247 0.936 0 C-N-CA 123.899 0.88 . . . . 73.21 108.831 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -105.95 151.59 40.07 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 123.286 0.634 . . . . 71.24 109.824 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.04 -32.57 43.71 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 122.573 2.182 . . . . 74.4 112.033 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.86 -10.66 59.24 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.178 0.591 . . . . 73.52 111.766 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.18 156.71 38.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.311 0.382 . . . . 71.21 110.307 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' B' ' 124' ' ' GLU . 1.8 p -86.8 162.91 17.55 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.291 0.567 . . . . 74.4 110.758 169.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.562 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 30.3 mm -71.15 -21.59 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 CA-C-N 115.325 -0.852 . . . . 75.0 109.402 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' B' ' 127' ' ' LYS . 11.7 pt-20 -65.66 -16.44 63.74 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.759 0.824 . . . . 74.03 111.495 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.1 m-80 -59.4 -57.93 10.85 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.638 0.587 . . . . 74.14 109.489 165.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.49 -35.82 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.293 0.637 . . . . 74.34 110.159 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' B' ' 124' ' ' GLU . 4.4 tmmm? -58.84 -49.62 77.06 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.332 1.053 . . . . 74.23 110.528 173.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.1 74.69 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.875 -0.602 . . . . 73.35 110.523 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.2 mmtp -71.45 -42.09 68.63 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.075 0.55 . . . . 75.12 111.285 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.4 -28.18 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 110.25 -0.278 . . . . 74.23 110.25 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.64 -33.44 53.57 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.317 0.647 . . . . 74.0 110.956 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.35 -50.4 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.668 0.787 . . . . 55.0 109.928 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -83.32 -54.75 4.76 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 114.919 -1.037 . . . . 71.35 112.198 -173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -91.12 -22.42 20.7 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.854 0.297 . . . . 72.25 110.48 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 82.86 26.27 46.14 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.97 -0.559 . . . . 73.5 112.881 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 59.3 mt -91.12 104.78 10.4 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 124.131 0.972 . . . . 73.32 110.085 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 50.6 Cg_exo -59.18 154.26 47.23 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.888 2.392 . . . . 72.53 112.743 172.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . 0.431 ' HD3' ' HD3' ' B' ' 127' ' ' LYS . 15.9 Cg_endo -53.74 -31.6 61.94 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 124.118 3.212 . . . . 75.32 113.003 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . 0.446 ' HB2' ' NE2' ' B' ' 140' ' ' GLN . 3.9 m-20 -54.45 -45.76 73.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.895 1.372 . . . . 75.23 112.064 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' B' ' 139' ' ' ASP . 0.0 OUTLIER -104.05 13.51 32.4 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.006 0.522 . . . . 74.11 112.39 -179.763 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -76.84 100.91 5.67 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 109.516 -0.55 . . . . 72.12 109.516 168.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.748 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 7.6 tpt180 -100.95 71.19 1.41 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 107.538 -1.282 . . . . 73.34 107.538 166.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 101.93 11.68 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 107.766 -1.198 . . . . 73.23 107.766 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -100.0 149.91 22.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.762 -0.829 . . . . 64.24 108.762 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -143.26 108.4 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.657 1.183 . . . . 71.04 107.868 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.61 23.84 13.6 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.812 0.845 . . . . 65.54 112.774 174.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.66 15.68 45.44 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.356 -0.384 . . . . 64.44 113.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -139.42 128.69 24.03 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.056 0.542 . . . . 74.44 110.126 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.55 161.18 28.48 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.013 0.925 . . . . 73.31 111.46 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.622 HD12 HD21 ' B' ' 167' ' ' LEU . 52.3 mt -115.92 117.94 31.56 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 123.703 0.801 . . . . 64.45 109.629 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . 0.516 ' HB2' ' HD3' ' B' ' 154' ' ' ARG . 4.7 mp0 -78.73 131.28 36.53 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.036 -1.098 . . . . 74.34 108.036 170.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . 0.562 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 11.2 p-10 -59.62 -30.34 68.63 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.085 0.554 . . . . 72.23 111.675 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.3 6.5 63.72 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 114.457 0.543 . . . . 73.34 114.457 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' B' ' 151' ' ' GLU . 0.9 OUTLIER -97.26 167.8 10.81 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 109.106 -0.702 . . . . 74.25 109.106 176.566 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 155' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 12.3 p -96.99 167.32 11.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.64 0.376 . . . . 73.43 110.84 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . 0.428 HD11 HG21 ' B' ' 161' ' ' ILE . 3.2 mm? -67.05 -38.72 86.34 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 108.82 -0.807 . . . . 74.13 108.82 172.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.1 t -66.47 -29.66 69.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.348 0.659 . . . . 74.4 111.657 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.23 -32.48 62.31 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.28 0.632 . . . . 75.53 111.289 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.19 -2.46 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.46 0.704 . . . . 74.1 110.914 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 59.7 t30 53.53 53.47 11.53 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.092 0.957 . . . . 75.13 109.735 -174.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.428 HG21 HD11 ' B' ' 156' ' ' LEU . 3.5 mm -64.12 111.58 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.562 -1.199 . . . . 74.12 109.681 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -87.52 165.7 15.31 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 121.647 0.737 . . . . 73.5 110.56 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -64.79 142.08 58.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 108.082 -1.081 . . . . 73.42 108.082 170.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.1 20.22 10.35 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.319 1.448 . . . . 74.43 112.268 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.0 m -54.88 126.16 23.19 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 118.566 0.621 . . . . 63.42 110.878 167.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -104.65 115.85 31.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.395 0.678 . . . . 73.13 109.658 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.622 HD21 HD12 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -118.23 151.61 37.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.541 1.137 . . . . 73.44 108.134 -174.029 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.0 tt -117.91 116.65 52.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-O 121.789 0.804 . . . . 74.32 110.19 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 57.3 tp -89.99 103.92 16.54 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.63 -1.168 . . . . 71.25 109.935 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' B' ' 142' ' ' ARG . 71.5 mt -103.43 161.58 13.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.953 1.301 . . . . 72.4 109.597 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.94 140.8 37.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.947 -1.131 . . . . 75.05 107.947 164.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 172' ' ' THR . . . . . 0.748 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 40.5 m . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 113.451 0.908 . . . . 72.34 113.451 -173.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 121.041 0.448 . . . . 50.15 110.207 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.26 -42.71 79.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.479 -0.782 . . . . 74.3 110.54 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.05 -56.18 13.86 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.136 1.374 . . . . 73.41 112.128 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.39 -36.37 81.18 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.711 0.632 . . . . 64.42 111.859 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.32 -55.62 32.59 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.055 0.847 . . . . 75.34 111.507 171.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.1 -24.59 67.48 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.096 -0.502 . . . . 72.22 111.037 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.61 -39.64 67.11 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.146 0.579 . . . . 72.33 109.726 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.59 -36.29 83.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.834 0.854 . . . . 75.55 110.323 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.2 -34.63 71.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.018 -0.992 . . . . 74.1 109.781 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.37 -34.35 65.54 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.001 0.92 . . . . 73.0 109.364 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.467 ' O ' HG13 ' C' ' 758' ' ' ILE . 12.4 m-85 -65.59 -39.6 91.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.975 -1.011 . . . . 73.54 109.829 171.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -72.79 -26.03 61.37 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 115.677 -0.692 . . . . 74.13 110.262 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 81.7 m -64.39 -39.82 94.61 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 108.917 -0.771 . . . . 74.23 108.917 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . 0.449 ' HA ' HD23 ' A' ' 70' ' ' LEU . 32.7 m-85 -59.21 -66.86 0.44 Allowed 'General case' 0 C--N 1.361 1.098 0 O-C-N 123.864 0.728 . . . . 74.32 110.311 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.484 HG22 HG22 ' C' ' 773' ' ' ILE . 13.4 mt -62.8 -36.62 76.26 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 O-C-N 124.197 0.935 . . . . 74.42 111.069 -166.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.74 -61.93 1.98 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.664 0.386 . . . . 71.33 110.184 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -65.2 -20.62 66.52 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.226 0.536 . . . . 71.31 111.155 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.536 ' HG2' ' HB2' ' C' ' 766' ' ' GLU . 25.5 ttt -74.53 -59.65 2.64 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 125.113 1.365 . . . . 72.25 109.925 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . 0.456 ' HB2' HD23 ' C' ' 817' ' ' LEU . 75.0 mt -61.29 -25.3 67.01 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 124.25 1.02 . . . . 74.52 112.213 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 763' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 73' ' ' LEU . 26.3 m -49.59 -32.58 13.04 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.657 1.583 . . . . 74.4 113.126 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -151.96 -28.73 0.17 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.042 0.537 . . . . 71.33 111.219 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' C' ' 761' ' ' MET . 1.4 tm? -93.57 -72.51 0.6 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.383 1.073 . . . . 74.34 110.775 -167.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . 0.663 ' HG2' HG23 ' C' ' 773' ' ' ILE . 13.4 tp10 -85.25 42.77 0.96 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.768 -0.583 . . . . 74.33 112.466 -166.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 50.8 m -70.61 52.15 0.14 Allowed 'General case' 0 CA--C 1.57 1.736 0 C-N-CA 123.97 0.908 . . . . 62.24 112.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -122.79 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.636 1.174 . . . . 74.34 111.005 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 34.4 t -74.08 143.56 45.36 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.854 1.057 . . . . 73.53 113.854 -156.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . 0.447 ' HA ' ' CD1' ' C' ' 773' ' ' ILE . 12.7 tp -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.838 -1.074 . . . . 61.44 110.565 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -53.99 -33.4 56.98 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.382 0.61 . . . . 74.45 110.736 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.436 ' HE ' ' HD1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -67.3 -66.45 0.56 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.519 -1.218 . . . . 75.33 111.208 -176.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.663 HG23 ' HG2' ' C' ' 766' ' ' GLU . 0.2 OUTLIER -60.25 -30.39 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-N 118.994 0.816 . . . . 71.2 111.269 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.424 ' HH ' HD21 ' C' ' 792' ' ' LEU . 55.4 t80 -58.28 -57.85 11.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.385 0.274 . . . . 73.33 110.439 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -69.44 -28.72 66.36 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.006 0.373 . . . . 64.05 112.006 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.445 ' HG3' ' HE3' ' C' ' 761' ' ' MET . 96.1 mmm -61.77 -55.21 32.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.028 0.442 . . . . 71.04 110.155 171.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.438 HD23 HG12 ' C' ' 758' ' ' ILE . 1.0 OUTLIER -55.01 -38.37 67.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.654 1.581 . . . . 75.42 112.378 176.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -64.46 -43.74 93.29 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 123.664 0.785 . . . . 74.43 110.559 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 779' ' ' MET . . . . . 0.532 ' HE3' ' HB1' ' A' ' 66' ' ' ALA . 1.3 tmt? -57.41 -47.18 82.41 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.689 -0.687 . . . . 61.23 110.605 174.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.32 -34.33 75.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.444 0.535 . . . . 72.01 112.444 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.446 HG11 HG12 ' C' ' 790' ' ' ILE . 6.2 p -79.08 -26.31 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.705 0.261 . . . . 74.22 111.705 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.05 -34.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 122.089 -0.382 . . . . 63.24 110.668 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 783' ' ' THR . . . . . 0.44 HG23 ' HE1' ' C' ' 779' ' ' MET . 33.5 p -77.56 -26.19 50.72 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.054 0.455 . . . . 75.43 110.742 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.89 93.61 0.55 Allowed Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 108.743 -1.743 . . . . 72.12 108.743 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -70.65 11.56 0.48 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.38 2.72 . . . . 62.35 113.832 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.89 56.78 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.801 1.24 . . . . 74.22 112.989 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 68.2 mt -112.89 -5.12 13.86 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.315 0.646 . . . . 75.22 110.995 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.9 -67.75 0.14 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.63 1.572 . . . . 64.03 111.672 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -147.53 115.85 6.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.838 1.255 . . . . 75.35 108.911 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.446 HG12 HG11 ' C' ' 781' ' ' VAL . 31.7 pt -77.48 153.39 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.877 -0.786 . . . . 73.35 108.877 165.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' C' ' 793' ' ' GLN . 16.2 t70 -113.19 167.03 10.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.906 0.483 . . . . 62.02 109.915 -173.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . 0.424 HD21 ' HH ' ' C' ' 774' ' ' TYR . 4.2 mm? -57.24 -54.18 49.71 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 123.667 0.787 . . . . 72.35 110.661 176.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . 0.402 ' HG3' ' OD2' ' C' ' 791' ' ' ASP . 0.0 OUTLIER -63.02 -32.91 74.38 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.996 0.369 . . . . 74.14 111.996 -175.376 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.08 -49.78 33.6 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.089 0.556 . . . . 53.45 111.899 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.85 -49.85 41.68 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.668 0.787 . . . . 73.11 109.393 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . 0.485 ' HA ' HD13 ' C' ' 799' ' ' LEU . 54.0 tt0 -58.28 -46.58 85.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 72.44 111.211 171.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.19 77.18 Favored Glycine 0 N--CA 1.477 1.414 0 O-C-N 123.57 0.544 . . . . 62.32 113.837 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' C' ' 802' ' ' LYS . 29.6 t80 -65.27 -52.63 53.09 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.956 0.902 . . . . 74.32 109.052 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' C' ' 796' ' ' GLN . 12.1 mt -56.84 -39.8 74.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.734 1.214 . . . . 75.53 111.801 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -43.38 90.07 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.841 1.257 . . . . 72.11 109.776 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -52.6 65.0 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 108.525 -0.917 . . . . 73.34 108.525 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.1 mmtt -53.62 -46.31 70.42 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.023 0.827 . . . . 73.12 111.963 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.2 t -60.35 -49.64 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.368 0.667 . . . . 74.34 110.476 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -73.72 -9.41 58.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.676 . . . . 74.12 112.362 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -94.61 -1.33 53.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.77 0.828 . . . . 74.14 112.038 174.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.5 12.19 7.98 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.417 1.487 . . . . 75.22 111.107 -173.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -79.94 -24.76 40.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.175 0.99 . . . . 72.4 109.421 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.46 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.8 OUTLIER -134.53 146.77 50.0 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.593 1.157 . . . . 73.54 108.197 -178.511 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.71 119.73 60.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 C-N-CA 123.826 0.85 . . . . 74.54 108.869 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -93.23 106.63 18.57 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.089 -1.448 . . . . 70.34 107.089 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 37.4 t -89.53 -133.67 0.1 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.478 -0.934 . . . . 75.35 108.478 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.9 72.24 2.08 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.025 0.83 . . . . 62.43 111.128 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.62 23.62 77.56 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 116.234 -0.439 . . . . 72.24 112.561 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.28 150.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.201 0.6 . . . . 73.44 110.248 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.14 134.77 46.0 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 109.198 -0.667 . . . . 75.31 109.198 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 141.8 22.33 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.129 -0.941 . . . . 74.34 109.18 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' C' ' 762' ' ' LEU . 1.0 OUTLIER -86.46 127.16 61.96 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-N 118.017 0.371 . . . . 74.25 110.603 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.377 2.071 0 C-N-CA 122.626 2.218 . . . . 74.11 112.231 177.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.95 -0.46 . . . . 45.04 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.427 ' HE2' HG12 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -148.47 163.62 36.62 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.898 0.879 . . . . 72.2 109.275 -171.414 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.66 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 0.5 OUTLIER -99.89 159.45 15.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.745 -0.661 . . . . 74.12 109.326 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.503 HD13 HD13 ' B' ' 115' ' ' LEU . 14.1 pt -135.72 162.15 37.44 Favored 'Isoleucine or valine' 0 C--O 1.247 0.943 0 C-N-CA 124.306 1.042 . . . . 74.53 108.878 174.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 23.0 m-85 -115.56 117.32 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.322 -0.853 . . . . 73.13 108.863 172.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.6 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 47.4 t -96.22 93.2 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.692 -1.225 . . . . 75.43 107.692 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 97.6 8.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.098 -0.956 . . . . 75.43 110.475 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -94.36 128.57 40.96 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.079 0.466 . . . . 74.44 110.421 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.98 141.09 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.894 0.878 . . . . 72.31 109.841 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -139.05 148.28 43.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.527 0.731 . . . . 74.22 109.654 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -94.28 118.88 32.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.542 -0.91 . . . . 72.53 108.542 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -127.86 113.17 15.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.829 0.347 . . . . 74.33 110.993 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 28.0 m -88.08 129.08 35.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.254 0.622 . . . . 73.13 110.15 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 mm -107.3 112.54 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.821 -0.807 . . . . 73.23 108.821 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.44 HG22 ' CD1' ' B' ' 104' ' ' PHE . 25.6 p -87.3 128.1 35.18 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.64 0.376 . . . . 74.53 110.746 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.07 170.08 16.58 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.82 0.848 . . . . 74.43 110.04 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.797 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 3.3 tm-20 -121.47 132.95 55.02 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 106.916 -1.512 . . . . 75.52 106.916 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 26' ' ' VAL . 12.0 m -136.17 172.15 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.197 0.599 . . . . 75.02 111.502 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -104.63 155.03 38.03 Favored Pre-proline 0 N--CA 1.479 0.985 0 N-CA-C 108.728 -0.841 . . . . 74.41 108.728 173.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.85 -36.02 33.23 Favored 'Trans proline' 0 C--N 1.365 1.426 0 C-N-CA 122.326 2.017 . . . . 70.04 111.24 170.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 p -78.78 -11.25 59.98 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.417 0.687 . . . . 73.35 112.172 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.77 153.5 43.15 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.555 0.742 . . . . 74.54 110.171 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.421 ' HB ' ' HG2' ' A' ' 24' ' ' GLU . 7.2 p -82.72 157.3 23.35 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.645 0.736 . . . . 75.13 110.311 167.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.747 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.3 mm -69.06 -28.24 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.389 -1.278 . . . . 70.42 111.045 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 11.5 pt-20 -66.03 -18.88 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.052 0.541 . . . . 70.34 111.085 -178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 51.3 m-20 -66.0 -52.41 49.62 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.039 0.837 . . . . 73.42 109.424 169.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG22 HG13 ' A' ' 17' ' ' VAL . 96.0 t -54.43 -49.06 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.319 1.048 . . . . 74.55 110.549 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -58.34 -48.56 80.16 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.893 -1.503 . . . . 74.14 111.008 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.57 66.05 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.615 -0.72 . . . . 73.22 111.501 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.568 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 71.1 mmtt -72.98 -46.49 52.0 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 122.835 0.454 . . . . 75.55 110.329 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.62 ' HB ' HD13 ' A' ' 36' ' ' ILE . 16.0 pt -69.77 -32.38 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 CA-C-O 120.789 0.328 . . . . 74.15 110.779 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.74 -35.46 80.17 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 123.415 0.686 . . . . 63.1 110.91 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.84 -49.01 64.55 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.56 0.744 . . . . 73.4 110.48 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.2 mmtt -75.49 -65.65 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.558 0.743 . . . . 71.21 110.881 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB3' HG13 ' A' ' 36' ' ' ILE . 40.6 tt0 -90.27 -31.17 17.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.805 0.442 . . . . 74.41 111.031 -172.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 27.05 9.1 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.848 -0.615 . . . . 60.51 112.17 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.62 HD13 ' HB ' ' A' ' 30' ' ' ILE . 57.7 mt -65.6 112.76 9.4 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.103 0.961 . . . . 72.33 110.665 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 Cg_endo -70.13 111.27 2.84 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.215 2.61 . . . . 71.4 112.583 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 Cg_endo -57.97 -37.77 94.72 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.843 3.028 . . . . 74.13 114.128 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.67 -41.67 82.02 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 124.399 1.062 . . . . 73.12 112.39 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.519 ' HB2' ' HG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -94.44 -11.13 30.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.178 -0.464 . . . . 73.02 111.75 -178.401 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -78.73 143.54 36.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.873 0.869 . . . . 64.12 111.629 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -136.53 74.01 1.48 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.317 1.447 . . . . 75.52 107.148 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.91 121.17 17.63 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 15.7 mt -125.71 143.96 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.81 0.844 . . . . 73.11 110.681 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HB2' HD21 ' A' ' 50' ' ' LEU . 27.0 t80 -131.8 112.77 12.78 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.914 1.686 . . . . 74.03 109.419 -174.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.39 18.96 9.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.679 0.792 . . . . 71.42 112.171 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.99 59.01 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.638 -0.71 . . . . 74.03 113.936 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -122.52 112.56 18.18 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 107.649 -1.241 . . . . 63.34 107.649 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 34.8 tt0 -70.33 137.01 50.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.772 -0.649 . . . . 74.21 109.809 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.747 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.1 mm? -80.43 100.82 8.68 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 124.19 0.996 . . . . 71.42 108.789 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 11.9 mp0 -65.08 123.49 19.62 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.536 -1.283 . . . . 75.53 107.536 166.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.24 -36.87 78.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.969 0.508 . . . . 62.55 111.438 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 13.35 31.21 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.575 -0.569 . . . . 72.5 114.223 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.447 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.0 tpt180 -98.31 178.48 5.04 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.824 0.85 . . . . 72.35 109.222 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -108.94 150.72 27.31 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.306 -0.627 . . . . 71.43 109.306 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 23' ' ' ILE . 3.5 mm? -57.59 -40.07 78.2 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.477 -0.564 . . . . 74.33 109.477 175.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.2 t -62.76 -29.04 70.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.352 1.061 . . . . 74.12 113.182 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.09 -35.93 69.99 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.23 0.538 . . . . 75.01 110.786 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' HB2' HG12 ' A' ' 61' ' ' ILE . 51.8 m-85 -93.36 -8.3 42.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.148 -0.933 . . . . 74.41 110.263 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 t30 48.72 56.61 7.38 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.705 1.202 . . . . 75.31 109.763 -168.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.527 HG12 ' HB2' ' A' ' 59' ' ' TYR . 3.3 mm -62.22 111.52 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 113.995 -1.457 . . . . 72.25 109.322 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -81.84 -178.86 7.16 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.593 -0.73 . . . . 74.44 110.206 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.8 ttmt -79.01 144.1 35.03 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.573 -0.528 . . . . 75.21 109.573 170.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 40.2 mt-10 63.43 28.41 15.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.869 1.356 . . . . 74.44 111.576 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.9 m -60.89 118.22 6.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 115.44 -0.8 . . . . 74.4 109.546 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 120.51 31.42 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.906 -0.776 . . . . 73.41 108.906 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.83 162.91 16.98 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.942 -1.503 . . . . 74.13 106.942 174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 tt -135.59 138.78 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-O 121.096 0.474 . . . . 74.4 110.322 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 HG22 ' B' ' 107' ' ' THR . 10.9 mp -79.97 118.7 21.95 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.347 -0.842 . . . . 74.14 109.828 170.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' HB2' ' C' ' 760' ' ' ALA . 64.7 mt -95.48 158.87 15.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 105.851 -1.907 . . . . 62.25 105.851 159.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' C' ' 764' ' ' ASN . 2.4 pt? -126.38 171.96 10.56 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.406 -0.59 . . . . 73.24 109.406 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.519 ' HG1' ' HB2' ' A' ' 40' ' ' GLN . 41.2 m -35.31 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.155 1.382 . . . . 73.43 114.266 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 tp -86.5 -33.47 20.32 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.801 -1.545 . . . . 72.12 108.761 167.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.147 -1.388 . . . . 74.14 109.897 -172.175 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.977 0 N-CA-C 111.024 -0.83 . . . . 71.52 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.427 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -157.56 154.26 28.26 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.46 0.704 . . . . 73.5 110.675 178.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . 0.797 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 19.4 mp0 -107.55 125.24 51.05 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.327 -0.99 . . . . 75.2 108.327 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.89 160.33 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.984 0.514 . . . . 71.23 110.436 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.44 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -120.17 105.7 11.23 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.514 -0.921 . . . . 75.03 108.514 -172.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 30' ' ' ILE . 27.6 m -99.25 106.87 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 107.904 -1.147 . . . . 74.25 107.904 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 37.2 t0 -87.7 138.19 31.68 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.864 -1.062 . . . . 75.43 110.311 -170.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.49 HG22 HD23 ' A' ' 69' ' ' LEU . 62.6 p -129.38 144.15 51.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.54 0.736 . . . . 64.24 111.308 -166.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -91.21 109.34 20.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.37 -0.974 . . . . 64.22 108.37 174.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -98.96 95.24 7.02 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.664 -0.698 . . . . 73.2 109.896 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -99.24 131.97 44.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.28 1.032 . . . . 75.41 109.194 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -132.77 144.33 50.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.763 1.225 . . . . 73.44 108.52 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 40.1 m -115.98 113.15 22.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.894 0.878 . . . . 75.31 109.814 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.6 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 40.5 mt -92.45 159.77 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 108.42 -0.956 . . . . 73.1 108.42 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 64.9 m -132.34 107.41 8.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.244 0.618 . . . . 74.32 109.761 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.503 HD13 HD13 ' A' ' 3' ' ' ILE . 3.8 tt -117.9 138.73 51.94 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.686 1.194 . . . . 72.14 108.504 -172.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 26.2 mt-10 -102.98 117.39 34.48 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.337 0.589 . . . . 65.11 110.21 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' VAL . . . . . 0.427 HG12 ' HE2' ' A' ' 1' ' ' MET . 9.8 p -124.74 166.12 20.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 115.045 -0.98 . . . . 74.44 110.707 -173.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -109.66 152.62 42.95 Favored Pre-proline 0 N--CA 1.476 0.847 0 N-CA-C 108.777 -0.823 . . . . 73.52 108.777 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.89 -32.6 54.79 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.185 1.923 . . . . 72.34 111.302 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 40.7 m -87.65 5.53 39.14 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.934 0.894 . . . . 74.44 112.392 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -82.34 153.24 25.88 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.566 -0.531 . . . . 74.15 109.566 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -82.75 165.75 19.65 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.52 -0.764 . . . . 71.4 109.604 165.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 154' ' ' ARG . 30.9 mm -64.3 -28.1 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 115.373 -0.83 . . . . 75.31 110.897 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.14 -28.21 62.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.482 0.713 . . . . 72.02 111.493 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 44.4 m-80 -62.31 -55.25 30.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.603 0.761 . . . . 74.21 110.161 174.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.68 -47.49 85.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 C-N-CA 124.27 1.028 . . . . 75.11 110.819 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.38 -38.6 81.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.033 -1.439 . . . . 65.11 110.951 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.67 61.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.968 -0.539 . . . . 74.52 110.89 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 70.7 mmtt -66.59 -56.76 9.26 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 118.237 0.471 . . . . 73.15 110.512 173.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.564 HG22 HG12 ' A' ' 5' ' ' VAL . 7.9 pt -63.52 -29.39 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 120.853 0.359 . . . . 75.24 111.698 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.87 -42.77 85.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.762 0.825 . . . . 73.32 111.506 170.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.95 -38.35 85.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.015 0.526 . . . . 62.34 110.927 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -83.13 -45.66 13.68 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.951 -1.022 . . . . 65.32 112.735 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.3 -8.48 14.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.94 0.719 . . . . 62.33 112.94 -175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.97 23.2 62.08 Favored Glycine 0 N--CA 1.473 1.157 0 CA-C-O 119.859 -0.412 . . . . 64.24 113.262 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.73 112.25 23.31 Favored Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 109.253 -0.647 . . . . 73.22 109.253 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -58.26 130.76 39.34 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.666 2.244 . . . . 75.22 112.032 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.65 -44.32 49.12 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 124.214 3.276 . . . . 70.14 113.919 -168.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.77 -25.16 48.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.281 -0.872 . . . . 63.41 111.024 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -92.72 20.44 6.45 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.102 0.561 . . . . 73.2 111.48 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' GLN . . . . . 0.415 HE21 HD12 ' B' ' 169' ' ' LEU . 5.0 pt20 -136.59 130.7 32.73 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.466 0.651 . . . . 75.32 110.03 173.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.422 HH22 HG11 ' C' ' 814' ' ' VAL . 30.8 mtp-105 -106.89 110.1 22.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.672 1.189 . . . . 72.02 108.906 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.499 ' HB2' HD23 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -89.95 127.5 36.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.061 -1.089 . . . . 65.41 108.061 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.15 139.46 51.23 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.193 0.597 . . . . 73.13 109.921 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' PHE . . . . . 0.524 ' HB2' HD22 ' B' ' 150' ' ' LEU . 36.9 t80 -142.37 107.09 4.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.148 0.979 . . . . 64.51 109.065 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.86 36.48 27.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.297 0.998 . . . . 65.45 110.615 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.37 6.45 83.9 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.091 -0.959 . . . . 61.32 114.154 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -124.39 126.13 45.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.446 0.698 . . . . 75.21 110.074 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.09 139.48 56.21 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.918 0.487 . . . . 74.02 110.715 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' B' ' 145' ' ' PHE . 2.0 mm? -86.88 105.74 17.27 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.883 0.873 . . . . 71.3 109.193 175.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.67 132.42 44.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.353 1.061 . . . . 74.42 111.236 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -45.65 -57.01 4.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.679 1.591 . . . . 70.41 113.361 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -91.72 27.11 10.3 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.358 -0.837 . . . . 75.14 113.383 -176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 154' ' ' ARG . . . . . 0.447 ' O ' HG12 ' B' ' 123' ' ' ILE . 63.5 ttt180 -113.67 160.6 18.44 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.522 -1.288 . . . . 74.2 107.522 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 12.1 m -103.4 148.43 25.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.358 0.503 . . . . 70.32 112.358 -163.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.6 -44.64 77.18 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.007 0.923 . . . . 73.21 110.567 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.5 t -61.84 -37.37 84.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.134 -0.939 . . . . 74.34 112.066 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.73 -34.27 71.17 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.0 0.813 . . . . 73.24 110.948 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 159' ' ' TYR . . . . . 0.405 ' OH ' ' HD3' ' B' ' 154' ' ' ARG . 91.2 m-85 -92.6 -9.63 40.37 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.371 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.87 50.3 7.02 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.828 0.851 . . . . 71.35 110.648 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 161' ' ' ILE . . . . . 0.427 HG21 ' OG ' ' B' ' 165' ' ' SER . 1.7 mp -62.2 120.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.971 -0.751 . . . . 75.43 108.971 167.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -101.67 173.1 6.57 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.376 0.608 . . . . 73.44 109.803 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 163' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' B' ' 164' ' ' GLU . 16.6 ptmt -62.72 139.07 58.65 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.818 -0.628 . . . . 72.14 109.399 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 164' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 163' ' ' LYS . 7.1 pt-20 64.54 15.09 9.4 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.098 1.759 . . . . 65.21 112.745 -176.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 165' ' ' SER . . . . . 0.441 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 98.5 p -61.46 121.49 12.82 Favored 'General case' 0 C--N 1.368 1.387 0 CA-C-N 117.862 0.301 . . . . 74.12 110.38 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.56 126.89 35.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.343 0.657 . . . . 73.03 111.204 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' B' ' 145' ' ' PHE . 0.4 OUTLIER -122.45 131.14 53.72 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.896 -1.52 . . . . 75.24 106.896 175.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 168' ' ' ILE . . . . . 0.501 HD13 ' HB2' ' C' ' 767' ' ' SER . 16.7 tt -94.1 116.61 35.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 122.184 0.992 . . . . 62.34 109.852 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 169' ' ' LEU . . . . . 0.415 HD12 HE21 ' B' ' 141' ' ' GLN . 44.2 tp -80.51 108.64 14.31 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.789 -1.551 . . . . 73.04 110.096 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.39 158.16 15.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.948 1.299 . . . . 73.1 109.209 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.28 174.46 8.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.492 0.717 . . . . 75.5 110.706 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.245 0 C-N-CA 125.043 1.337 . . . . 64.55 113.251 167.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.74 0.644 . . . . 74.44 112.74 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.8 -47.25 77.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.996 0.918 . . . . 75.02 112.105 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.74 -44.46 81.71 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.024 0.827 . . . . 74.54 111.497 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -69.32 -49.62 54.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.641 1.176 . . . . 74.33 109.865 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.95 -45.59 94.12 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.27 -1.332 . . . . 74.14 111.692 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.43 -27.65 59.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.098 -0.501 . . . . 60.14 109.706 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.85 -40.41 95.11 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.708 0.63 . . . . 73.1 110.043 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.92 -38.48 86.29 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.442 0.697 . . . . 70.23 110.683 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.08 -35.31 80.18 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.058 0.943 . . . . 74.3 108.876 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.5 -47.15 76.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.159 0.984 . . . . 64.42 109.725 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 754' ' ' PHE . . . . . 0.5 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 44.3 m-85 -57.58 -35.21 70.08 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 109.559 -0.534 . . . . 74.35 109.559 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 755' ' ' TRP . . . . . 0.469 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 25.6 t-105 -72.98 -37.18 67.13 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.83 -0.623 . . . . 75.5 111.054 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.0 m -59.91 -39.39 85.27 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.496 -0.557 . . . . 75.0 109.496 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -65.63 0.62 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.841 -1.072 . . . . 74.33 110.917 171.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 758' ' ' ILE . . . . . 0.485 HD13 HD21 ' C' ' 777' ' ' LEU . 59.7 mt -60.18 -30.51 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 123.83 0.852 . . . . 71.14 111.915 -172.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -77.19 -48.32 17.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.731 0.412 . . . . 73.22 110.305 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 760' ' ' ALA . . . . . 0.538 ' HB2' HD12 ' A' ' 70' ' ' LEU . . . -75.41 -17.73 60.11 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.886 0.474 . . . . 74.23 111.318 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 761' ' ' MET . . . . . 0.563 ' HE3' ' HG3' ' C' ' 776' ' ' MET . 20.4 ttt -74.12 -58.76 3.08 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.858 1.263 . . . . 75.34 109.93 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.76 -12.59 60.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.139 0.976 . . . . 72.15 112.323 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 -24.91 63.86 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.888 0.375 . . . . 73.44 110.93 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 764' ' ' ASN . . . . . 0.505 ' HB2' HD12 ' A' ' 71' ' ' LEU . 6.2 t30 -119.16 -53.5 2.25 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.643 1.177 . . . . 73.21 110.1 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 6.3 tp -82.49 58.13 4.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.753 1.221 . . . . 75.02 108.659 -172.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.87 76.06 6.56 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.46 -1.245 . . . . 53.44 112.638 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 767' ' ' SER . . . . . 0.501 ' HB2' HD13 ' B' ' 168' ' ' ILE . 22.6 m 155.23 123.4 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 127.414 2.285 . . . . 74.15 109.772 162.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.85 155.85 30.41 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.715 0.806 . . . . 73.32 111.723 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 769' ' ' SER . . . . . 0.504 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 45.9 t -59.52 148.85 31.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.138 0.575 . . . . 72.02 110.395 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.74 -34.57 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 108.375 -0.972 . . . . 74.24 108.375 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.75 -47.45 82.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.427 0.691 . . . . 73.34 111.306 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 772' ' ' ARG . . . . . 0.504 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 75.9 mtt85 -59.75 -54.69 43.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.278 0.631 . . . . 73.02 111.248 -178.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 773' ' ' ILE . . . . . 0.466 HD12 HD23 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -63.61 -35.95 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.104 0.561 . . . . 74.11 110.715 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 774' ' ' TYR . . . . . 0.615 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 52.2 t80 -59.25 -48.36 81.91 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.297 0.639 . . . . 74.25 110.532 173.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -38.61 89.61 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.9 0.88 . . . . 75.31 110.657 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 776' ' ' MET . . . . . 0.563 ' HG3' ' HE3' ' C' ' 761' ' ' MET . 84.6 mmm -60.88 -54.18 48.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.271 -0.877 . . . . 73.35 110.626 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 777' ' ' LEU . . . . . 0.485 HD21 HD13 ' C' ' 758' ' ' ILE . 9.2 mp -60.15 -29.86 68.93 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.756 0.822 . . . . 74.11 112.224 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 778' ' ' ARG . . . . . 0.475 ' HD2' HG21 ' C' ' 790' ' ' ILE . 9.2 mmm180 -66.57 -46.51 75.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.588 -0.523 . . . . 73.31 109.588 175.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -50.08 65.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.512 0.725 . . . . 75.23 109.9 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 780' ' ' PHE . . . . . 0.5 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 15.9 m-85 -66.0 -34.46 78.15 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.762 -0.653 . . . . 72.23 111.721 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 781' ' ' VAL . . . . . 0.523 HG11 ' H ' ' C' ' 790' ' ' ILE . 5.3 p -75.9 -37.11 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 111.724 0.268 . . . . 64.21 111.724 -178.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.9 m -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.021 0.378 . . . . 74.41 112.021 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 9.0 p -65.94 -19.4 65.85 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 111.954 0.353 . . . . 72.23 111.954 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.72 15.61 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 110.888 -0.885 . . . . 72.41 110.888 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.44 -41.31 50.17 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 121.855 1.704 . . . . 73.41 111.299 167.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 34.81 -92.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 126.713 2.005 . . . . 42.15 115.37 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.95 17.24 4.18 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.648 1.179 . . . . 71.21 109.593 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.95 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 126.227 1.811 . . . . 72.52 110.414 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.01 111.37 3.92 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.369 -1.345 . . . . 75.31 107.369 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 790' ' ' ILE . . . . . 0.523 ' H ' HG11 ' C' ' 781' ' ' VAL . 12.8 tt -72.21 131.86 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.631 0.772 . . . . 75.2 109.133 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -116.33 164.09 15.04 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.783 -0.644 . . . . 64.04 110.725 -169.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.2 -31.52 70.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.067 0.947 . . . . 74.14 112.326 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -54.16 -57.74 9.98 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.116 0.96 . . . . 61.44 109.724 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.3 -33.46 67.41 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 113.088 -1.869 . . . . 73.44 110.514 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 795' ' ' LEU . . . . . 0.615 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -67.65 -59.43 3.34 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.782 0.833 . . . . 62.31 109.894 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -66.13 -26.88 67.65 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.846 -0.616 . . . . 74.43 110.302 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.24 81.16 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 123.933 0.771 . . . . 64.22 112.36 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 798' ' ' TYR . . . . . 0.469 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 4.4 t80 -66.14 -51.92 53.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.524 0.73 . . . . 73.14 109.385 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 799' ' ' LEU . . . . . 0.466 HD23 HD12 ' C' ' 773' ' ' ILE . 4.1 mm? -64.65 -36.41 84.16 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.445 -0.798 . . . . 75.44 111.175 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.02 -50.48 72.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.404 0.682 . . . . 74.1 109.95 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 801' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' C' ' 805' ' ' ASP . 17.1 tptm -57.63 -54.83 42.42 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.382 1.051 . . . . 75.23 110.426 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 802' ' ' LYS . . . . . 0.422 ' HB3' HD21 ' C' ' 808' ' ' LEU . 72.7 mmtt -58.74 -35.68 73.11 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 113.025 0.75 . . . . 73.33 113.025 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.52 -43.93 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.128 0.571 . . . . 72.44 110.287 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -77.13 -8.6 57.78 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.141 0.576 . . . . 74.21 111.814 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 805' ' ' ASP . . . . . 0.454 ' HB2' ' HE2' ' C' ' 801' ' ' LYS . 34.3 t70 -99.11 -8.96 24.45 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.514 1.125 . . . . 63.34 111.377 173.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 64.62 19.83 11.95 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 125.076 1.35 . . . . 64.21 111.889 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -87.47 -17.83 31.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.466 1.106 . . . . 72.15 110.556 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 808' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' C' ' 802' ' ' LYS . 1.0 OUTLIER -120.94 146.23 46.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.106 0.962 . . . . 73.11 109.853 174.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.6 t -105.83 134.3 47.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 125.236 1.415 . . . . 64.21 108.825 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.44 106.69 18.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.713 -1.217 . . . . 75.13 107.713 171.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 811' ' ' SER . . . . . 0.582 ' HB2' HG21 ' C' ' 814' ' ' VAL . 74.0 m -85.94 -145.54 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 N-CA-C 109.046 -0.724 . . . . 73.22 109.046 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.31 75.46 0.73 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.596 0.635 . . . . 74.52 110.876 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.92 19.67 78.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 116.481 -0.327 . . . . 64.22 113.557 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 814' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' C' ' 811' ' ' SER . 18.2 m -134.49 154.8 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.878 0.871 . . . . 73.55 110.551 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -104.32 146.87 28.19 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.544 0.738 . . . . 72.42 110.429 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -159.53 157.56 30.18 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.327 1.017 . . . . 72.31 111.138 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 1.3 mp -81.66 125.75 77.47 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 122.481 0.312 . . . . 74.21 111.552 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 C--N 1.378 2.094 0 C-N-CA 122.714 2.276 . . . . 75.21 112.294 172.628 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 110.76 -0.936 . . . . 70.54 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 148.15 48.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.008 0.433 . . . . 74.4 110.112 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.61 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 16.6 mp0 -91.62 161.21 15.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 74.23 110.095 -174.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -138.98 146.61 25.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-O 121.473 0.654 . . . . 73.4 109.323 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 16.0 m-30 -100.95 116.79 33.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.659 -1.237 . . . . 74.32 107.659 172.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.652 ' HB ' HD11 ' B' ' 169' ' ' LEU . 17.3 m -107.14 102.49 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 122.106 0.955 . . . . 72.22 109.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' HB2' HG21 ' B' ' 168' ' ' ILE . 2.4 m-20 -78.12 102.34 7.46 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.377 -1.283 . . . . 74.44 110.033 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 t -89.14 110.41 21.15 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.726 -0.842 . . . . 71.13 108.726 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.7 43.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 115.199 -0.91 . . . . 72.52 109.826 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -118.84 84.15 2.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.418 -0.956 . . . . 63.34 108.418 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.418 ' HB2' HD13 ' C' ' 765' ' ' LEU . 32.0 t-105 -99.0 103.29 15.23 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 106.383 -1.71 . . . . 64.43 106.383 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' B' ' 171' ' ' LEU . 26.5 pttm -160.54 155.4 24.2 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.248 0.342 . . . . 74.45 111.435 -173.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 5.5 m -99.4 137.4 37.95 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.803 -0.635 . . . . 74.2 110.242 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.22 158.19 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 107.644 -1.243 . . . . 74.24 107.644 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.0 m -125.55 132.39 52.58 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.658 0.663 . . . . 75.22 109.944 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD22 HG11 ' B' ' 105' ' ' VAL . 1.4 pt? -136.93 170.93 15.28 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.004 1.322 . . . . 74.04 108.341 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 32.5 tt0 -113.4 159.53 19.36 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.358 -0.608 . . . . 74.23 109.358 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG13 ' HE2' ' B' ' 101' ' ' MET . 7.1 p -157.39 163.42 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.431 0.692 . . . . 73.14 110.798 175.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -108.87 153.8 42.2 Favored Pre-proline 0 N--CA 1.484 1.251 0 C-N-CA 123.659 0.784 . . . . 75.42 109.783 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.39 -30.57 36.33 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.038 2.492 . . . . 51.25 113.182 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -84.84 -10.17 57.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.071 0.948 . . . . 63.22 111.812 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.87 153.93 41.57 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.336 -0.616 . . . . 74.13 109.336 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.28 163.81 20.47 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.222 0.609 . . . . 72.32 110.411 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 50' ' ' LEU . 40.6 mm -67.18 -32.97 60.04 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-N 115.015 -0.993 . . . . 74.22 110.699 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -32.79 63.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.769 -1.105 . . . . 74.31 110.327 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -69.52 -39.0 77.79 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.003 0.921 . . . . 75.22 110.783 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 47.4 t -65.39 -51.16 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.48 0.712 . . . . 70.21 109.881 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 38' ' ' PRO . 45.8 pttt -67.49 -33.7 75.63 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.535 -0.757 . . . . 72.21 110.441 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.09 78.09 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.012 0.525 . . . . 62.15 111.931 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 18.9 ptmt -79.99 -32.83 39.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.506 0.322 . . . . 73.33 110.958 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.543 ' HB ' HD12 ' A' ' 36' ' ' ILE . 26.4 pt -72.38 -33.1 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.899 -0.408 . . . . 74.31 109.899 172.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.17 -42.76 99.44 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.979 0.512 . . . . 75.2 111.338 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.95 -50.86 53.41 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.79 0.836 . . . . 73.24 110.9 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -78.58 -62.19 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.115 -0.948 . . . . 74.53 111.039 -175.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.14 -13.73 32.45 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.244 0.461 . . . . 71.32 112.244 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.89 31.76 52.22 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 112.119 -0.392 . . . . 73.32 112.119 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.543 HD12 ' HB ' ' A' ' 30' ' ' ILE . 96.5 mt -84.42 108.23 13.85 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.143 0.977 . . . . 75.13 109.509 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 73.9 Cg_endo -74.21 115.09 4.2 Favored 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 121.876 1.717 . . . . 75.54 110.537 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 25.4 Cg_endo -60.17 -44.01 31.75 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.691 2.927 . . . . 72.33 115.209 -165.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -85.84 -27.6 24.99 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.85 -0.614 . . . . 71.44 111.154 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -75.38 -28.66 59.59 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.21 1.004 . . . . 62.33 110.878 174.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -125.78 93.66 3.9 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.115 -1.069 . . . . 74.44 108.115 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -76.39 128.84 35.64 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.366 1.466 . . . . 74.23 111.059 -171.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' A' ' 67' ' ' LEU . 12.6 mt -97.01 139.47 32.97 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.883 0.873 . . . . 74.11 110.531 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 HG21 ' HH ' ' C' ' 757' ' ' TYR . 75.1 mt -132.66 118.96 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 109.236 -0.653 . . . . 74.15 109.236 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.5 t80 -108.11 118.59 37.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 73.52 108.855 -171.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.81 17.1 4.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.04 0.936 . . . . 65.42 112.694 174.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.65 26.1 14.01 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 114.27 0.468 . . . . 61.51 114.27 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -141.04 137.61 33.06 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 117.23 0.515 . . . . 72.12 111.286 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HG2' HG12 ' A' ' 44' ' ' ILE . 76.6 mt-30 -75.1 139.8 43.02 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.878 0.871 . . . . 74.42 110.129 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.809 ' HB3' HG23 ' A' ' 23' ' ' ILE . 1.7 mm? -92.75 123.96 36.4 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.991 0.916 . . . . 71.03 111.514 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.65 128.39 38.49 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.079 0.952 . . . . 75.23 110.21 169.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.06 -41.7 60.08 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.565 1.546 . . . . 74.34 113.018 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.66 -12.14 66.73 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 114.518 -1.219 . . . . 75.34 114.532 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.4 163.57 14.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 75.3 109.65 -175.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.2 p -95.78 173.93 7.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.75 0.42 . . . . 72.35 110.278 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.43 -42.92 91.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.292 -0.633 . . . . 73.24 109.292 173.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.4 t -65.53 -25.77 67.59 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 64.4 111.905 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.52 -38.55 69.37 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.829 0.852 . . . . 71.21 111.145 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 3.5 m-85 -99.05 -6.12 29.08 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.661 0.784 . . . . 74.23 109.692 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.65 63.48 1.67 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.729 1.212 . . . . 75.12 110.654 -172.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.8 mp -67.75 99.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 108.636 -0.875 . . . . 72.44 108.636 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.0 -172.89 3.3 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.276 -0.875 . . . . 71.45 109.132 170.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.7 ttpp -93.38 150.56 20.37 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.8 -0.563 . . . . 73.55 110.968 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 61.94 21.19 12.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.885 1.674 . . . . 74.42 111.855 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -71.38 151.34 44.18 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.19 0.596 . . . . 74.23 111.417 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.482 ' HB3' ' HE2' ' C' ' 779' ' ' MET . . . -111.38 132.06 54.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.412 0.625 . . . . 72.44 111.533 -175.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 43' ' ' LEU . 59.2 tp -113.3 135.93 53.31 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.583 1.553 . . . . 75.2 107.706 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.5 tp -98.39 137.46 25.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 109.123 -0.695 . . . . 74.43 109.123 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.696 HD23 HG23 ' B' ' 107' ' ' THR . 11.2 mp -107.48 111.0 23.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.378 -0.828 . . . . 72.42 109.11 174.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 mt -101.61 125.85 48.33 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.237 -1.023 . . . . 71.5 108.237 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HG ' HG12 ' B' ' 108' ' ' VAL . 48.7 mt -70.9 169.3 15.06 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 119.008 0.822 . . . . 71.15 111.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -38.42 110.33 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.206 1.402 . . . . 75.12 113.063 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' C' ' 760' ' ' ALA . 31.4 tp -103.07 -65.04 1.02 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.018 0.927 . . . . 74.33 109.211 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.256 1.42 0 CA-C-N 114.515 -1.221 . . . . 75.31 107.97 -172.433 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 CA-C-O 120.261 -0.188 . . . . 62.3 113.072 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.53 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -102.71 145.48 29.63 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.906 0.482 . . . . 75.51 109.777 -175.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 12.5 mp0 -104.81 128.64 53.04 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.049 -0.723 . . . . 75.42 109.049 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.1 pt -119.22 167.35 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.08 0.552 . . . . 73.54 110.935 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.0 m-85 -116.06 125.56 52.59 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.124 0.97 . . . . 74.44 108.59 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 15' ' ' LEU . 27.3 m -111.64 115.18 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.584 0.629 . . . . 73.33 109.46 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.555 ' HB3' HD12 ' A' ' 68' ' ' ILE . 8.5 t70 -90.3 103.67 16.32 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.214 -0.662 . . . . 61.11 109.214 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.696 HG23 HD23 ' A' ' 69' ' ' LEU . 61.1 p -92.62 135.97 33.63 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 125.138 1.375 . . . . 75.13 112.639 -171.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.43 HG12 ' HG ' ' A' ' 71' ' ' LEU . 2.4 p -112.34 124.56 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.352 1.061 . . . . 53.54 109.238 163.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -138.3 101.5 4.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.973 0.909 . . . . 75.33 109.0 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -106.91 134.64 49.75 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.852 0.861 . . . . 74.0 109.057 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -144.26 138.8 28.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.223 1.009 . . . . 75.35 109.392 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -101.77 118.98 38.04 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.542 0.737 . . . . 73.31 109.238 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 20.3 mt -94.43 158.57 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 108.606 -0.887 . . . . 73.01 108.606 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.7 m -131.28 122.27 26.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.16 -0.682 . . . . 71.01 109.16 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.97 170.33 14.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.42 -0.955 . . . . 70.35 108.42 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 40.1 tt0 -117.92 144.73 45.22 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.738 -0.838 . . . . 75.15 108.738 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.2 167.1 20.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 123.361 0.665 . . . . 74.54 109.333 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -106.63 150.8 40.07 Favored Pre-proline 0 N--CA 1.47 0.569 0 N-CA-C 109.308 -0.627 . . . . 71.24 109.308 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -66.13 -28.4 48.68 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.467 2.111 . . . . 73.23 111.462 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.9 m -80.96 -15.29 56.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.184 -0.916 . . . . 75.35 112.073 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.0 159.73 27.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.931 0.396 . . . . 75.12 110.881 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -85.21 163.15 18.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.386 -0.824 . . . . 73.24 110.527 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 45.8 mm -68.43 -28.56 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.397 -0.82 . . . . 71.01 110.587 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.42 66.01 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.134 0.574 . . . . 71.32 111.696 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.438 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.4 t-20 -64.6 -54.75 27.03 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.651 0.781 . . . . 54.01 109.377 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.01 -40.33 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.737 0.815 . . . . 73.4 110.59 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' B' ' 138' ' ' PRO . 20.4 ttmt -54.53 -55.09 32.81 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.686 -1.143 . . . . 73.54 110.495 174.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.21 71.09 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.357 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 29.1 mmtp -65.59 -57.87 7.12 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.981 -0.533 . . . . 75.21 110.904 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.474 ' HB ' HD13 ' B' ' 136' ' ' ILE . 26.6 pt -60.37 -35.35 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 CA-C-O 121.268 0.556 . . . . 72.34 111.132 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 8.8 tt0 -72.3 -28.51 63.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.696 1.199 . . . . 72.13 111.559 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.79 -48.94 12.75 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.804 0.442 . . . . 64.42 110.322 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 75.1 mmtt -60.29 -61.51 2.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.159 -0.928 . . . . 72.41 111.514 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.461 ' HB2' HG13 ' B' ' 136' ' ' ILE . 29.7 mt-10 -117.45 6.88 12.63 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.079 0.399 . . . . 75.3 112.079 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 67.55 25.97 73.77 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-O 119.467 -0.629 . . . . 44.31 112.523 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' B' ' 130' ' ' ILE . 55.5 mt -68.29 106.34 1.31 Allowed Pre-proline 0 C--N 1.361 1.069 0 N-CA-C 108.843 -0.799 . . . . 71.3 108.843 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 136' ' ' ILE . 1.1 Cg_endo -82.19 121.81 3.59 Favored 'Trans proline' 0 C--N 1.368 1.572 0 C-N-CA 122.418 2.079 . . . . 70.14 110.146 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.411 ' HB3' ' HG3' ' B' ' 127' ' ' LYS . 34.5 Cg_endo -59.22 -39.37 79.12 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.809 2.339 . . . . 73.34 112.448 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.85 -29.49 69.41 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.453 -1.249 . . . . 74.44 111.415 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -20.56 19.13 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.671 0.789 . . . . 72.2 110.81 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -153.21 97.57 2.18 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.934 -0.765 . . . . 75.23 108.934 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.36 144.17 28.2 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.14 0.576 . . . . 74.3 110.278 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.519 ' HG ' ' HG ' ' B' ' 169' ' ' LEU . 3.2 mp -83.48 146.58 28.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.777 0.431 . . . . 74.25 110.262 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -125.02 144.31 50.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.883 0.873 . . . . 74.34 109.599 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.52 ' HB2' HD21 ' B' ' 150' ' ' LEU . 11.3 t80 -141.46 104.51 4.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.663 1.185 . . . . 72.33 108.561 -176.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 55.81 27.63 11.17 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.365 1.066 . . . . 72.11 112.052 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.38 17.66 45.22 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 116.422 -0.354 . . . . 64.41 113.484 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -133.27 133.68 42.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.215 0.606 . . . . 73.32 110.832 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.85 135.18 38.87 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.413 0.685 . . . . 71.35 109.388 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' B' ' 123' ' ' ILE . 2.2 mm? -81.02 105.57 12.34 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.423 -0.954 . . . . 75.22 108.423 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.657 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 32.9 mt-10 -75.68 128.06 34.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.835 -1.172 . . . . 74.15 107.835 174.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.8 p-10 -65.29 -25.34 67.59 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.817 0.673 . . . . 75.2 112.817 -169.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -73.62 -10.58 79.86 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.35 -0.841 . . . . 62.1 113.933 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.657 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 21.8 mmm180 -85.74 177.81 7.55 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.366 0.583 . . . . 75.2 109.94 -177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 158' ' ' ASP . 26.1 m -110.97 158.1 19.16 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.728 0.811 . . . . 73.21 109.375 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.413 HD22 HD11 ' B' ' 123' ' ' ILE . 4.0 mm? -63.3 -46.47 86.57 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.959 0.409 . . . . 74.22 110.186 176.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.5 t -64.24 -27.61 69.17 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.083 -0.508 . . . . 75.55 111.822 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' B' ' 155' ' ' THR . 15.6 t70 -58.58 -31.86 68.42 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.602 0.761 . . . . 72.41 111.36 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -96.79 -6.92 35.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.131 0.572 . . . . 75.21 111.396 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.68 57.06 5.02 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.046 0.939 . . . . 75.43 109.353 -174.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 6.2 mm -70.41 126.6 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.576 -1.193 . . . . 74.41 110.083 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -94.81 158.27 15.57 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 121.32 0.581 . . . . 75.24 110.519 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.48 136.29 56.91 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 116.019 -0.537 . . . . 75.2 109.625 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 67.88 19.85 9.41 Favored 'General case' 0 CA--C 1.553 1.088 0 O-C-N 124.884 1.365 . . . . 72.15 111.572 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 13.7 t -60.69 129.02 39.45 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 123.179 0.592 . . . . 64.55 111.79 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.95 41.73 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.106 0.563 . . . . 62.1 111.497 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.405 HD12 ' N ' ' B' ' 167' ' ' LEU . 1.0 OUTLIER -132.32 128.77 38.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.534 1.134 . . . . 74.13 108.159 -179.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.416 HG21 ' HB2' ' A' ' 6' ' ' ASP . 29.5 pt -101.39 119.04 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-O 121.517 0.675 . . . . 64.32 110.326 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.652 HD11 ' HB ' ' A' ' 5' ' ' VAL . 5.7 mp -77.07 112.6 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.967 0.507 . . . . 75.3 110.221 176.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.3 156.97 16.1 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.56 -0.904 . . . . 73.32 108.56 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 11' ' ' LYS . 6.8 mp -67.53 163.33 21.35 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.759 -0.46 . . . . 73.12 109.759 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 8.6 t -44.42 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 113.849 1.055 . . . . 73.11 113.849 -172.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.65 72.42 1.08 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.098 -0.955 . . . . 74.31 108.438 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--O 1.256 1.431 0 C-N-CA 125.908 1.683 . . . . 71.12 113.706 167.669 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 112.123 -0.391 . . . . 63.12 112.123 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 46.7 t -133.83 131.68 39.52 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.493 -0.928 . . . . 62.15 108.493 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -143.73 -45.49 0.27 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.55 0.74 . . . . 72.04 111.822 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 52.5 p -79.36 -6.47 56.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.277 0.631 . . . . 73.01 112.373 -172.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -83.82 80.48 9.13 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.598 0.713 . . . . 74.34 110.284 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 35.0 m -150.96 -36.02 0.14 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.835 1.254 . . . . 73.13 108.996 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 88.03 -171.51 40.86 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.303 -0.862 . . . . 72.31 112.427 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 26.3 mtp -138.18 106.49 5.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.257 0.623 . . . . 74.14 110.025 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -130.4 -16.1 3.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.295 1.038 . . . . 73.2 111.234 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 62.54 23.36 13.88 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.751 1.62 . . . . 74.23 113.071 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -173.85 -61.5 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.441 0.696 . . . . 63.03 109.95 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.12 62.51 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.023 -0.99 . . . . 72.43 112.61 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.32 -60.0 4.01 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.033 0.833 . . . . 75.14 110.693 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 11.5 pt20 -55.39 -45.3 76.61 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 124.346 1.029 . . . . 74.51 110.162 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 43.3 mtpt -61.47 -56.23 22.39 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 124.264 0.977 . . . . 74.45 111.049 -172.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.11 -45.63 68.37 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.411 1.069 . . . . 74.01 110.857 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.91 -30.77 68.27 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.092 0.87 . . . . 64.23 111.626 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' C' ' 786' ' ' ALA . 72.8 mt-10 -69.59 -46.73 65.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.957 0.903 . . . . 74.34 109.046 177.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 17.0 mt -69.83 -33.39 72.24 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.033 0.833 . . . . 63.25 110.38 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.43 -37.34 74.38 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.472 -0.936 . . . . 74.2 108.472 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.73 -44.37 97.04 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.806 0.691 . . . . 73.53 110.351 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.597 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 20.9 m-85 -61.35 -37.56 83.77 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 74.53 110.628 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.502 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 36.7 t-105 -75.42 -25.83 57.85 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 114.743 -1.117 . . . . 74.04 110.563 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 90.8 m -68.03 -36.32 79.73 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.073 -0.714 . . . . 55.23 109.073 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.597 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 47.1 m-85 -62.13 -66.33 0.55 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 123.582 0.552 . . . . 73.44 109.781 171.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.466 HD13 HD11 ' C' ' 777' ' ' LEU . 37.8 mt -66.18 -33.67 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 O-C-N 124.173 0.921 . . . . 71.4 112.147 -166.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.01 -58.65 5.04 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.244 -0.65 . . . . 74.13 109.244 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 73' ' ' LEU . . . -64.37 -27.81 69.27 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.672 0.789 . . . . 74.4 112.049 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.63 ' HE1' HD22 ' C' ' 768' ' ' LEU . 26.1 ttt -66.8 -58.85 4.23 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 114.37 -1.286 . . . . 72.34 108.207 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.607 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 3.5 mm? -71.41 -14.72 62.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 113.551 0.945 . . . . 64.43 113.551 -178.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 69.2 m -61.51 -25.75 67.47 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.509 0.723 . . . . 71.24 111.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -130.05 -46.67 1.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.56 0.744 . . . . 71.44 109.798 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.555 HD21 HD21 ' C' ' 768' ' ' LEU . 8.4 tp -87.63 57.77 4.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.58 1.552 . . . . 75.3 108.454 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.82 59.08 3.02 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.329 1.051 . . . . 74.03 113.469 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 16.0 m 173.9 105.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.937 1.695 . . . . 74.11 108.665 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.63 HD22 ' HE1' ' C' ' 761' ' ' MET . 1.7 pp -163.86 143.94 8.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.854 0.462 . . . . 71.14 111.252 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.4 m -65.47 152.69 43.36 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 123.115 0.566 . . . . 75.43 110.472 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.75 -39.25 65.18 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.863 0.727 . . . . 75.41 109.126 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.31 -30.66 68.51 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.628 0.771 . . . . 73.14 112.833 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -69.63 -57.31 5.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.578 0.351 . . . . 74.14 110.335 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.473 HG21 ' SD ' ' C' ' 761' ' ' MET . 2.7 pp -67.86 -24.15 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.779 -0.646 . . . . 70.13 111.053 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.495 ' HH ' HD22 ' C' ' 792' ' ' LEU . 21.5 t80 -66.21 -49.13 68.34 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.986 -0.746 . . . . 73.52 108.986 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.81 -40.5 92.94 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.156 0.91 . . . . 72.11 110.919 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.538 ' HE3' ' SD ' ' C' ' 761' ' ' MET . 0.2 OUTLIER -66.52 -52.7 43.04 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.727 0.642 . . . . 74.42 111.452 178.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.589 ' HB2' HD11 ' C' ' 795' ' ' LEU . 8.4 mt -57.84 -40.12 79.31 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 123.019 0.199 . . . . 72.51 110.495 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.418 ' O ' HG11 ' C' ' 781' ' ' VAL . 38.5 ttt-85 -69.96 -36.68 75.42 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.95 0.781 . . . . 74.34 111.093 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 779' ' ' MET . . . . . 0.482 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 4.3 tpt -55.5 -55.85 27.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.338 0.655 . . . . 73.34 109.583 170.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -78.06 -9.29 59.07 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.889 -0.596 . . . . 70.41 112.487 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.488 HG12 HG12 ' C' ' 790' ' ' ILE . 0.5 OUTLIER -87.57 -36.25 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 110.196 -0.298 . . . . 74.33 110.196 173.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.71 -31.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 119.688 -0.196 . . . . 73.53 111.373 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 15.0 p -63.41 -29.1 70.45 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.898 0.38 . . . . 74.22 111.829 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -120.76 -172.85 14.69 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.5 -0.773 . . . . 74.34 111.831 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -85.04 15.05 2.3 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.194 2.596 . . . . 74.21 113.275 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' C' ' 781' ' ' VAL . . . -49.96 106.08 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.47 1.108 . . . . 71.44 112.219 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . 0.414 HD23 HG21 ' C' ' 790' ' ' ILE . 5.7 mp 55.3 13.64 0.92 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.356 1.462 . . . . 64.44 113.831 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.47 36.98 28.23 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.642 0.777 . . . . 73.52 111.11 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 75.46 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.551 1.94 . . . . 74.13 111.481 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.488 HG12 HG12 ' C' ' 781' ' ' VAL . 6.0 pt -71.51 -171.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.062 1.345 . . . . 74.15 111.884 175.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -139.33 172.07 13.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.346 1.058 . . . . 74.32 109.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . 0.495 HD22 ' HH ' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -48.43 -61.12 2.17 Favored 'General case' 0 C--O 1.206 -1.213 0 C-N-CA 125.037 1.335 . . . . 70.43 110.464 173.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -32.91 64.48 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.934 0.771 . . . . 73.4 111.474 -173.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.87 -52.27 26.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.627 0.771 . . . . 64.44 110.492 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' C' ' 777' ' ' LEU . 1.6 tt -74.21 -52.06 13.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 122.919 0.488 . . . . 63.34 110.168 -174.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -52.67 -47.05 67.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.855 0.862 . . . . 72.14 111.371 170.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.64 -27.68 71.36 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.775 0.672 . . . . 62.22 113.737 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.502 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 24.8 t80 -66.75 -50.99 60.95 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.595 0.758 . . . . 64.31 109.256 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.6 -44.67 93.31 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.986 0.804 . . . . 64.01 110.939 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.24 -49.06 75.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.533 1.133 . . . . 73.51 110.261 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . 0.45 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.79 -57.55 11.56 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.247 0.967 . . . . 74.12 108.815 175.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -47.56 -43.52 25.3 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.461 0.912 . . . . 74.12 113.461 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 95.3 t -66.6 -43.98 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 121.433 0.635 . . . . 72.3 110.467 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -74.5 -13.09 60.64 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.312 -0.858 . . . . 75.24 112.157 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.54 -9.09 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.192 0.997 . . . . 71.24 110.42 171.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.74 19.24 10.75 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.109 1.364 . . . . 72.23 111.455 -175.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -5.45 56.94 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.828 1.251 . . . . 74.1 111.01 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.53 142.98 50.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.759 0.824 . . . . 75.41 108.812 169.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.4 t -105.64 123.51 60.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 C-N-CA 124.356 1.062 . . . . 75.55 108.201 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.5 107.78 19.57 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.348 -1.353 . . . . 65.22 107.348 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.6 ' HB3' HG11 ' C' ' 814' ' ' VAL . 22.8 t -80.7 -154.67 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 108.754 -0.832 . . . . 75.25 108.754 171.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.22 76.11 0.71 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.075 0.852 . . . . 74.13 111.56 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.84 77.8 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.678 -0.692 . . . . 71.34 112.537 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.6 HG11 ' HB3' ' C' ' 811' ' ' SER . 7.7 p -144.65 135.02 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.899 -0.778 . . . . 75.24 108.899 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.82 148.73 22.01 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.4 0.68 . . . . 74.3 112.703 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.468 ' HA ' ' CD1' ' C' ' 762' ' ' LEU . 15.6 ptt180 -161.76 150.22 15.36 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.266 -1.334 . . . . 73.42 109.696 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.607 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 0.7 OUTLIER -74.65 141.92 76.65 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 111.677 0.251 . . . . 75.45 111.677 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -66.63 83.12 0.3 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.828 2.352 . . . . 75.14 110.478 166.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -13.4 61.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.658 -1.155 . . . . 72.03 110.86 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -118.68 141.66 48.4 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.218 1.407 . . . . 73.43 108.25 167.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.98 -41.67 59.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.13 0.572 . . . . 74.11 110.559 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 C--O 1.25 1.106 0 C-N-CA 123.785 0.834 . . . . 71.13 109.157 179.564 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.87 -0.492 . . . . 62.31 111.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -100.36 147.13 26.15 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.873 -0.788 . . . . 64.45 108.873 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 17.3 mp0 -92.76 160.31 15.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.997 -0.547 . . . . 74.23 110.351 -171.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.499 HD12 HD11 ' B' ' 115' ' ' LEU . 13.9 pt -139.99 158.47 26.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 123.983 0.913 . . . . 64.41 108.682 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -119.53 112.68 19.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.577 -1.268 . . . . 72.51 107.577 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.69 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 98.5 t -93.93 91.81 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.476 -1.305 . . . . 62.1 107.476 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.11 95.93 8.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.276 -0.875 . . . . 75.01 110.508 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -91.65 139.42 30.71 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.697 0.399 . . . . 73.51 110.036 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HB ' ' HE3' ' B' ' 110' ' ' TRP . 7.7 p -129.72 118.65 45.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.91 -0.774 . . . . 74.23 108.91 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 89.7 mt-30 -103.23 81.99 2.01 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.319 -0.993 . . . . 73.34 108.319 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.592 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 70.3 t-105 -98.56 106.1 18.33 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 107.698 -1.223 . . . . 73.3 107.698 173.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -161.38 139.82 9.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 123.79 0.681 . . . . 72.24 109.711 -171.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 21.1 m -85.3 122.76 29.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.561 0.745 . . . . 74.24 109.678 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.69 151.24 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.577 -0.898 . . . . 74.42 108.577 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' CD1' ' B' ' 104' ' ' PHE . 20.7 p -107.82 134.63 50.49 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.844 0.458 . . . . 71.34 110.569 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD21 HG12 ' B' ' 105' ' ' VAL . 1.8 pt? -149.63 172.41 15.1 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.642 0.777 . . . . 74.31 109.319 173.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 30.9 tt0 -121.34 146.8 46.48 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.689 0.396 . . . . 60.15 110.122 171.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG12 HG23 ' A' ' 26' ' ' VAL . 12.1 m -130.78 173.74 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 124.575 1.15 . . . . 73.12 110.955 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.742 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 35.0 mm-40 -110.52 154.89 42.87 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.805 0.842 . . . . 62.2 109.034 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.34 -38.76 19.32 Favored 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 122.159 1.906 . . . . 64.34 112.385 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -89.3 -0.2 57.28 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.85 -0.614 . . . . 64.02 111.475 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 23.0 t70 -75.76 154.21 36.48 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.541 1.136 . . . . 73.23 107.935 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -91.26 164.68 13.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.989 0.9 . . . . 74.42 111.254 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 50' ' ' LEU . 22.6 mm -74.52 -19.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 CA-C-N 114.746 -1.115 . . . . 74.22 109.616 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.81 -25.35 67.19 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.817 0.847 . . . . 70.44 110.605 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 45.0 m-80 -69.18 -53.35 20.5 Favored 'General case' 0 C--O 1.205 -1.271 0 N-CA-C 108.532 -0.914 . . . . 72.53 108.532 173.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG23 HG12 ' A' ' 17' ' ' VAL . 20.9 t -51.12 -42.27 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.842 0.857 . . . . 73.55 110.867 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.56 -53.91 52.61 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 125.519 1.528 . . . . 73.24 110.929 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.48 63.17 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.943 -1.026 . . . . 65.5 111.7 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 4.4 mptp? -72.69 -54.51 8.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.569 1.148 . . . . 74.54 109.243 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.612 ' HB ' HD12 ' A' ' 36' ' ' ILE . 25.9 pt -68.34 -25.95 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 123.254 0.346 . . . . 74.23 110.869 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.69 -49.61 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.036 0.534 . . . . 72.41 111.087 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.23 -43.07 99.47 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.967 0.889 . . . . 75.14 110.829 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.558 ' HZ3' ' HB3' ' A' ' 33' ' ' LYS . 3.6 mmmp? -82.37 -73.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.763 -1.562 . . . . 64.41 110.926 -174.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' HB2' HG13 ' A' ' 36' ' ' ILE . 26.6 mm-40 -88.13 -9.57 52.77 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.874 0.47 . . . . 73.42 111.283 -167.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 28.35 54.84 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 116.309 -0.405 . . . . 74.31 113.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD12 ' HB ' ' A' ' 30' ' ' ILE . 54.6 mt -80.58 113.51 40.28 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.519 0.728 . . . . 72.45 110.053 -176.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 28.1 Cg_endo -62.12 119.4 6.49 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.926 2.417 . . . . 75.42 112.352 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.88 -44.97 44.48 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 124.085 3.19 . . . . 74.3 114.027 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.53 -33.66 74.2 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.457 -0.792 . . . . 73.1 111.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 21.6 mt-30 -110.71 18.98 19.1 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.741 0.816 . . . . 74.14 111.927 -169.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -114.53 150.86 34.27 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.613 -0.514 . . . . 73.22 109.613 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.571 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 35.4 mtp85 -132.79 101.03 5.11 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.116 -1.439 . . . . 75.23 107.116 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 21.4 mt -85.56 121.09 27.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 109.334 -0.617 . . . . 73.05 109.334 -172.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mt -129.04 130.7 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 118.207 0.458 . . . . 74.22 111.165 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -111.51 99.94 8.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.941 1.296 . . . . 73.24 109.034 178.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.51 31.56 15.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 123.971 0.795 . . . . 74.33 112.546 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' HA2' HD13 ' C' ' 753' ' ' LEU . . . 96.99 17.06 33.54 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.239 0.855 . . . . 61.32 115.239 -175.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -117.37 141.12 48.71 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.13 0.965 . . . . 74.43 111.271 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 120.67 28.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.902 0.881 . . . . 73.23 110.17 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.704 ' HB3' HG23 ' A' ' 23' ' ' ILE . 2.5 mm? -86.96 106.34 17.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.363 0.665 . . . . 74.51 110.623 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.6 118.26 9.26 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.683 -0.858 . . . . 70.23 108.683 162.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 10.2 p-10 -59.78 -33.88 72.29 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.14 0.576 . . . . 65.23 111.767 -175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.1 22.21 16.23 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-O 119.901 -0.388 . . . . 74.31 113.604 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . 59.3 ttt180 -115.33 171.12 7.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.096 -1.075 . . . . 74.43 108.096 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -100.39 159.24 15.29 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.431 1.014 . . . . 72.51 111.189 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.575 HD13 HG12 ' A' ' 61' ' ' ILE . 3.7 mm? -61.15 -43.99 98.02 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.011 0.82 . . . . 75.43 109.684 175.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -67.51 -25.91 66.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.881 0.697 . . . . 75.31 112.881 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.75 -18.28 64.19 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.727 0.299 . . . . 72.41 110.436 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.24 -9.43 19.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.022 0.529 . . . . 75.01 111.843 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 59.47 64.49 1.33 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.239 1.016 . . . . 72.01 110.667 -172.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.575 HG12 HD13 ' A' ' 56' ' ' LEU . 1.7 mp -67.44 109.79 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.732 -0.84 . . . . 74.52 108.732 170.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -79.83 164.26 23.75 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.754 -0.832 . . . . 74.44 108.754 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -71.81 143.9 49.34 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 122.253 -0.279 . . . . 74.42 110.289 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.77 29.41 18.01 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.673 1.189 . . . . 74.53 111.907 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -80.72 143.41 32.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.15 0.58 . . . . 74.32 111.077 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.1 106.66 18.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.335 0.654 . . . . 51.44 111.647 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HB3' HG13 ' B' ' 105' ' ' VAL . 2.7 tt -96.77 126.47 41.95 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 106.803 -1.554 . . . . 75.02 106.803 172.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 tt -99.2 131.46 46.43 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 CA-C-N 118.871 0.759 . . . . 73.54 109.623 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD13 ' HB ' ' B' ' 107' ' ' THR . 62.2 mt -99.73 107.7 19.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.633 -1.167 . . . . 75.03 108.914 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 5.2 mp -94.89 114.63 26.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.634 -1.247 . . . . 74.21 107.634 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.37 168.33 19.42 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 109.385 -0.598 . . . . 74.44 109.385 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -32.4 97.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.093 1.757 . . . . 71.22 113.581 -179.183 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.4 tp -91.87 -90.84 0.17 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.557 -1.275 . . . . 75.55 107.557 171.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.597 -1.26 . . . . 75.43 107.597 175.03 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 111.612 -0.595 . . . . 74.23 111.612 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.47 46.05 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.536 0.735 . . . . 74.05 109.768 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -84.91 164.18 18.52 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.415 -0.811 . . . . 73.44 110.517 -173.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -148.72 156.37 8.17 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 C-N-CA 123.997 0.919 . . . . 73.43 109.858 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.435 ' CD1' HG23 ' A' ' 14' ' ' THR . 18.4 m-30 -116.36 105.79 12.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.413 -1.267 . . . . 73.13 108.693 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 67' ' ' LEU . 27.1 m -99.8 107.99 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 121.877 0.846 . . . . 71.3 111.013 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.588 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 46.3 t0 -84.99 100.34 11.59 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.86 0.864 . . . . 71.34 109.917 -173.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.608 ' HB ' HD13 ' A' ' 69' ' ' LEU . 9.6 t -103.1 146.33 28.55 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.506 0.722 . . . . 74.22 112.266 -171.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.592 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.2 p -116.92 128.29 74.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.707 -0.679 . . . . 74.42 110.459 161.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -117.97 93.52 4.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.164 -0.925 . . . . 73.34 109.319 167.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . 0.411 ' HE3' ' HB ' ' A' ' 8' ' ' VAL . 40.3 t-105 -86.06 129.31 34.88 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.378 -0.971 . . . . 70.11 108.378 171.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -144.48 133.7 22.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.651 1.181 . . . . 71.33 108.774 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -97.97 116.19 29.68 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.579 0.751 . . . . 75.32 109.079 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.69 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 31.1 mt -91.61 154.63 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.96 -1.126 . . . . 72.34 107.96 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.0 p -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.542 -0.911 . . . . 73.42 108.542 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.499 HD11 HD12 ' A' ' 3' ' ' ILE . 3.5 tt -139.87 148.01 41.46 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.477 -1.675 . . . . 71.44 106.477 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.5 tt0 -117.65 125.6 51.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.118 -1.067 . . . . 73.55 108.118 169.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.6 p -132.21 170.94 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 123.109 0.564 . . . . 73.44 109.622 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.4 ' HB2' ' OD1' ' B' ' 121' ' ' ASP . 41.6 mt-10 -120.18 147.34 44.58 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.449 0.7 . . . . 75.45 109.606 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.49 -36.41 97.61 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.107 2.538 . . . . 73.55 113.458 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.5 m -79.87 -10.3 59.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.952 -0.567 . . . . 75.41 112.401 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.4 ' OD1' ' HB2' ' B' ' 118' ' ' GLU . 3.8 m-20 -81.29 158.63 24.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.361 0.265 . . . . 75.03 110.467 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -87.65 171.54 10.38 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.154 0.982 . . . . 71.11 111.194 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 33.6 mm -78.26 -23.1 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.507 -0.77 . . . . 75.03 110.16 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.07 -25.57 65.49 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.705 0.802 . . . . 73.1 111.619 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 48.9 m-80 -61.33 -56.58 18.87 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.824 0.703 . . . . 62.1 109.552 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.07 -42.19 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.976 0.91 . . . . 72.44 110.657 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -56.44 -53.08 61.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.339 1.056 . . . . 71.24 110.83 174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.43 74.1 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.393 -0.821 . . . . 65.22 111.338 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.7 mmtp -75.98 -40.8 53.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.04 0.536 . . . . 73.42 111.56 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 31.6 pt -72.36 -29.58 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.157 0.435 . . . . 75.21 110.049 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.24 -38.45 71.96 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.326 0.65 . . . . 65.14 110.864 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.67 -52.15 19.35 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.516 -0.766 . . . . 54.51 110.585 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -81.03 -56.01 4.39 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.839 -1.073 . . . . 72.51 111.214 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.64 -11.2 29.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.852 0.461 . . . . 71.22 110.969 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.31 28.96 67.0 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 123.118 0.262 . . . . 74.21 113.181 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.447 HD12 HD21 ' B' ' 169' ' ' LEU . 78.9 mt -87.75 118.15 69.38 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.797 0.839 . . . . 71.41 110.493 -176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.418 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 27.2 Cg_exo -64.9 131.16 28.05 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.49 2.127 . . . . 71.32 111.414 172.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.1 Cg_endo -45.07 -43.72 15.65 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.265 3.31 . . . . 75.12 113.945 173.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.19 -33.01 74.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 114.4 -1.273 . . . . 72.52 111.617 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.773 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 17.0 mt-30 -91.88 -6.34 51.68 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.358 0.663 . . . . 72.03 112.317 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 136.42 33.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.62 1.168 . . . . 75.33 110.695 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' B' ' 172' ' ' THR . 0.4 OUTLIER -134.05 87.24 2.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.041 0.936 . . . . 74.0 108.935 165.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.648 HD22 HG11 ' A' ' 5' ' ' VAL . 10.1 mt -81.01 105.13 12.0 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.992 -0.549 . . . . 73.23 109.56 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.61 139.01 35.9 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.683 -0.858 . . . . 63.11 108.683 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' B' ' 165' ' ' SER . 29.9 t80 -131.77 102.34 5.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.425 -0.954 . . . . 72.05 108.425 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 51.76 37.98 21.82 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.082 0.953 . . . . 64.22 111.976 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.28 -16.1 61.69 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-O 119.009 -0.884 . . . . 64.11 114.581 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.607 ' HZ1' ' HB3' ' B' ' 148' ' ' LYS . 0.3 OUTLIER -107.18 121.99 45.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 118.649 1.225 . . . . 73.1 110.218 178.154 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -75.15 139.27 42.59 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.548 -0.538 . . . . 73.34 109.548 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' B' ' 143' ' ' LEU . 2.5 mm? -77.25 114.71 16.35 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.662 0.785 . . . . 74.04 109.116 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 2.7 tm-20 -84.5 130.39 34.76 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.69 -0.856 . . . . 75.51 108.69 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -43.45 -56.95 3.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.922 1.689 . . . . 71.11 113.826 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.04 16.05 53.22 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.016 -0.538 . . . . 73.31 114.092 -174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 6.8 mtt180 -105.88 164.2 12.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.213 1.005 . . . . 74.52 108.752 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 36.9 p -96.36 165.64 12.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.689 0.757 . . . . 74.12 111.53 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.12 -37.32 78.28 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.901 -1.499 . . . . 73.23 109.745 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.3 t -65.07 -37.53 87.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.49 0.716 . . . . 72.25 111.088 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.39 -27.72 68.73 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.94 0.775 . . . . 74.21 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -100.24 -2.98 32.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.611 0.764 . . . . 62.43 111.566 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.93 61.27 3.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.51 1.124 . . . . 75.15 110.23 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.0 116.63 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.543 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -86.16 156.06 20.5 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 121.283 0.564 . . . . 74.25 110.189 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 19.6 ptmt -60.66 139.69 57.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.739 -0.837 . . . . 74.53 108.739 170.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 59.7 23.21 12.04 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.065 1.746 . . . . 73.23 112.575 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 60.6 p -58.38 141.25 51.91 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 111.586 0.217 . . . . 63.3 111.586 170.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.59 118.49 36.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.707 0.403 . . . . 75.22 109.937 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.536 HD22 HD23 ' B' ' 150' ' ' LEU . 0.5 OUTLIER -122.68 126.83 48.37 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.481 -1.674 . . . . 73.32 106.481 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 17.1 pt -91.23 132.8 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.778 -0.823 . . . . 72.52 108.778 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.611 HD12 ' HG ' ' B' ' 143' ' ' LEU . 37.4 tp -105.83 97.43 7.26 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.669 -1.234 . . . . 75.01 107.669 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 16.0 tp -94.93 155.44 16.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.171 -1.377 . . . . 65.11 108.82 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.67 156.27 39.22 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 108.056 -1.09 . . . . 73.54 108.056 171.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.773 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 12.5 t -48.08 89.94 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 122.569 1.176 . . . . 75.32 113.239 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.2 mp -158.07 -158.1 0.7 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.329 1.852 . . . . 74.44 107.482 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 108.397 -0.964 . . . . 73.44 108.397 169.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.205 0 N-CA-C 111.552 -0.619 . . . . 72.52 111.552 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 20.5 m -79.44 92.13 5.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.227 0.611 . . . . 74.01 110.621 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.1 -13.21 61.15 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.527 0.731 . . . . 71.34 111.341 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 15.2 t -70.54 1.07 5.59 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.043 0.937 . . . . 64.12 112.196 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.22 138.47 55.6 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.281 0.632 . . . . 75.2 110.165 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 62.0 m -145.88 28.2 1.15 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.56 0.744 . . . . 73.41 110.365 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -67.92 112.52 4.79 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 119.302 -0.721 . . . . 64.13 112.611 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 740' ' ' MET . . . . . 0.546 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 26.4 ptm -150.83 152.06 33.2 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 117.537 0.668 . . . . 75.3 112.124 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -170.44 18.6 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.865 1.266 . . . . 73.51 111.035 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 50.0 m 59.66 22.69 11.44 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.372 1.469 . . . . 71.41 112.732 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -168.8 -47.92 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.479 0.712 . . . . 74.42 110.537 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.93 78.75 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.065 -0.516 . . . . 73.21 111.044 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' C' ' 740' ' ' MET . 0.4 OUTLIER -49.74 -63.82 0.99 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.806 1.317 . . . . 73.15 112.061 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.496 ' HG3' ' HG3' ' C' ' 747' ' ' LYS . 8.4 pt20 -54.91 -50.05 69.73 Favored 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.685 1.241 . . . . 74.21 110.778 -173.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.496 ' HG3' ' HG3' ' C' ' 746' ' ' GLN . 93.4 mttt -63.33 -47.06 83.79 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.134 0.573 . . . . 73.5 111.13 -173.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -50.77 -56.06 13.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.49 1.119 . . . . 73.13 111.495 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.0 pt-20 -76.16 -32.1 58.89 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.819 -0.628 . . . . 71.52 111.233 -169.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 746' ' ' GLN . 48.7 mt-10 -66.41 -52.39 47.09 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.533 -0.914 . . . . 73.44 108.533 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.39 -43.93 79.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 124.226 0.954 . . . . 74.34 110.425 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.32 -36.99 85.73 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.974 0.796 . . . . 72.33 110.589 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . 0.407 HD13 ' HA2' ' A' ' 47' ' ' GLY . 1.9 tm? -73.82 -40.71 63.14 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.735 0.814 . . . . 74.15 110.339 -177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.534 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 38.7 m-85 -59.21 -42.22 90.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.661 0.785 . . . . 72.32 109.342 171.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.467 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 18.1 t-105 -64.84 -38.37 90.75 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.397 -1.274 . . . . 72.25 110.647 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 68.5 m -61.03 -36.56 79.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.249 0.62 . . . . 65.0 110.186 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.534 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 39.7 m-85 -59.45 -57.69 11.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.822 -0.626 . . . . 74.43 110.808 169.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.517 HG13 ' O ' ' C' ' 754' ' ' PHE . 10.2 mt -65.88 -24.0 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 123.917 0.761 . . . . 75.51 111.525 -172.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -66.56 -61.68 1.86 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.153 -0.684 . . . . 75.31 109.153 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.07 66.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.085 0.554 . . . . 44.11 111.449 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.627 ' SD ' HD23 ' C' ' 765' ' ' LEU . 35.0 tpp -60.77 -59.19 5.78 Favored 'General case' 0 C--O 1.197 -1.691 0 C-N-CA 124.307 1.043 . . . . 75.1 109.168 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' C' ' 816' ' ' ARG . 95.5 mt -77.77 -13.18 59.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.353 0.661 . . . . 73.41 112.331 -175.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.4 m -73.48 -21.58 60.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.079 0.951 . . . . 73.21 111.285 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.76 -51.18 2.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.814 0.446 . . . . 74.52 109.892 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.627 HD23 ' SD ' ' C' ' 761' ' ' MET . 10.4 mp -82.94 60.03 5.2 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.501 1.12 . . . . 74.13 109.744 171.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.91 84.47 2.84 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.036 -0.984 . . . . 72.21 109.168 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 69.8 m 127.22 105.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 128.389 2.676 . . . . 70.45 108.703 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.661 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 0.4 OUTLIER -156.83 158.36 36.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 70.15 109.955 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.9 t -70.02 158.06 36.35 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 120.535 0.207 . . . . 62.44 110.796 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.07 -37.67 80.58 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.703 0.801 . . . . 74.44 109.768 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.8 -32.24 67.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.204 0.602 . . . . 73.11 112.145 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.661 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 98.3 mtt180 -69.46 -52.15 29.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.937 0.495 . . . . 75.14 110.234 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.4 HD12 HD21 ' C' ' 799' ' ' LEU . 2.8 pp -71.59 -26.02 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 116.681 -0.236 . . . . 75.14 111.399 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.07 -52.08 65.34 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 108.747 -0.834 . . . . 75.35 108.747 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -55.34 -43.85 75.37 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.448 1.093 . . . . 73.53 111.975 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.458 ' HG3' ' HE1' ' C' ' 761' ' ' MET . 89.7 mmm -58.82 -61.74 2.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.699 -0.682 . . . . 73.0 110.578 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.486 HD21 HD23 ' C' ' 795' ' ' LEU . 10.4 mp -57.54 -30.02 64.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 115.623 -0.717 . . . . 73.24 112.111 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -66.6 -43.41 84.92 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.989 0.805 . . . . 75.32 109.968 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 779' ' ' MET . . . . . 0.531 ' HE3' HG21 ' C' ' 783' ' ' THR . 4.5 ttp -58.89 -51.38 70.26 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.996 -0.742 . . . . 71.43 108.996 173.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.92 -31.36 71.67 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.688 -0.687 . . . . 72.25 112.563 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.495 HG22 HG22 ' C' ' 790' ' ' ILE . 1.1 p -84.65 -28.8 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 122.976 0.51 . . . . 73.34 111.057 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.53 -27.97 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.703 0.401 . . . . 74.23 111.813 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 783' ' ' THR . . . . . 0.531 HG21 ' HE3' ' C' ' 779' ' ' MET . 16.9 p -65.22 -25.64 67.77 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.961 0.504 . . . . 72.55 112.107 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.99 -170.22 12.84 Favored Glycine 0 C--O 1.242 0.627 0 N-CA-C 111.407 -0.677 . . . . 74.03 111.407 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -83.04 10.14 3.78 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.349 2.699 . . . . 73.14 111.905 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' C' ' 781' ' ' VAL . . . -49.07 109.16 0.23 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.736 1.614 . . . . 74.51 112.485 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 46.6 mt 58.78 9.69 1.25 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.835 1.254 . . . . 72.21 113.656 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.36 41.36 31.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.279 1.032 . . . . 73.14 111.752 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 70.59 117.16 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.778 1.631 . . . . 74.42 111.679 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.495 HG22 HG22 ' C' ' 781' ' ' VAL . 15.7 pt -65.9 164.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.04 0.936 . . . . 72.44 111.71 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -118.73 169.19 10.05 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.711 -1.131 . . . . 75.42 108.858 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.38 -40.62 95.01 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.988 0.915 . . . . 74.24 111.697 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.41 -38.76 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.737 0.415 . . . . 74.31 110.787 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.71 -45.29 71.98 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.89 0.876 . . . . 74.3 110.214 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.495 HD11 HD22 ' C' ' 799' ' ' LEU . 1.9 tm? -74.81 -48.6 24.42 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 114.589 -1.187 . . . . 74.31 110.076 -174.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.93 -44.63 87.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.045 0.938 . . . . 72.22 110.582 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.15 92.28 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.94 0.775 . . . . 73.04 113.35 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.467 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 13.1 t80 -62.09 -53.14 59.69 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.223 0.535 . . . . 74.45 110.67 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.495 HD22 HD11 ' C' ' 795' ' ' LEU . 4.3 mm? -58.77 -47.6 84.11 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.941 -1.027 . . . . 75.22 111.26 178.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -51.24 -48.44 62.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.191 1.396 . . . . 74.32 110.909 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -57.89 -53.69 55.32 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 124.282 0.989 . . . . 62.04 110.043 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -58.38 -34.69 71.0 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.782 0.66 . . . . 73.51 112.782 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.482 HG23 ' O ' ' C' ' 799' ' ' LEU . 92.0 t -63.71 -49.64 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 109.189 -0.671 . . . . 71.4 109.189 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -79.44 -5.75 55.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.019 -0.991 . . . . 75.43 112.927 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -94.14 8.44 41.6 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.421 1.089 . . . . 74.01 111.075 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.33 21.28 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.776 1.23 . . . . 74.21 110.829 -175.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -104.74 -26.51 12.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.031 0.932 . . . . 73.41 110.845 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 151.38 48.88 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.14 0.976 . . . . 74.31 109.901 -176.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.08 132.27 63.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.981 0 C-N-CA 124.062 0.945 . . . . 75.34 108.901 168.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.45 129.06 56.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.743 1.217 . . . . 73.35 108.37 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 60.5 p -111.46 -143.78 0.39 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.986 -1.487 . . . . 75.11 106.986 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.76 74.55 1.57 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.966 0.803 . . . . 63.42 111.415 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.27 21.2 79.27 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.875 -0.602 . . . . 71.43 112.24 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.22 131.74 63.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.788 0.835 . . . . 73.44 110.213 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -99.66 149.62 23.12 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.999 0.919 . . . . 75.24 111.848 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.641 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.17 145.43 15.03 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.519 1.137 . . . . 75.1 110.3 172.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.522 ' H ' ' HB3' ' C' ' 762' ' ' LEU . 0.5 OUTLIER -72.05 123.3 89.27 Favored Pre-proline 0 C--O 1.243 0.744 0 N-CA-C 108.528 -0.916 . . . . 75.04 108.528 171.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . 0.4 ' HB2' ' O ' ' C' ' 820' ' ' ASN . 9.9 Cg_endo -56.05 -19.87 28.19 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.7 2.934 . . . . 72.42 114.598 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 72.63 -7.44 1.42 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.161 1.385 . . . . 74.42 112.924 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . 0.412 ' N ' HD21 ' C' ' 820' ' ' ASN . 0.1 OUTLIER 177.55 -179.18 0.23 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.183 1.393 . . . . 65.14 108.67 -174.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 49.2 t -126.27 -5.89 6.58 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.26 0.624 . . . . 72.11 110.853 173.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.255 1.35 0 C-N-CA 124.877 1.271 . . . . 62.32 110.97 -178.151 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 120.399 -0.112 . . . . 71.31 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HE1' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -113.63 142.62 45.77 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.907 -0.775 . . . . 73.03 108.907 -177.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.524 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -101.88 155.35 18.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.803 -1.09 . . . . 74.43 108.569 -175.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' B' ' 115' ' ' LEU . 19.0 pt -133.94 159.47 42.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.025 0 N-CA-C 109.239 -0.652 . . . . 73.33 109.239 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 18.4 m-85 -108.64 113.17 25.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.679 -1.146 . . . . 73.53 108.108 172.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.531 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 60.5 t -90.57 93.57 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 106.504 -1.665 . . . . 74.25 106.504 177.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -97.27 100.32 11.78 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.509 0.671 . . . . 74.14 109.262 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -93.73 142.47 27.32 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.926 -1.033 . . . . 74.31 110.069 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.13 127.05 45.46 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 108.297 -1.001 . . . . 63.42 108.297 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 97.7 mt-30 -109.93 83.4 1.75 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.875 -0.602 . . . . 61.22 109.398 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.727 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 55.9 t-105 -99.36 112.89 24.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.322 1.849 . . . . 74.53 107.06 173.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -160.52 147.96 15.98 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.973 0.795 . . . . 73.11 109.932 -169.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 13.9 m -103.01 121.33 42.33 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.884 -0.598 . . . . 74.03 110.085 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mm -94.36 133.12 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.217 1.007 . . . . 71.44 109.168 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 m -99.29 125.85 45.0 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.155 -0.683 . . . . 72.02 109.155 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.64 HD21 HG21 ' B' ' 105' ' ' VAL . 1.3 pt? -143.24 171.97 13.37 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.875 0.87 . . . . 74.41 108.942 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -106.92 161.52 14.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.447 0.641 . . . . 44.02 110.218 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG11 ' HE1' ' B' ' 101' ' ' MET . 14.3 p -156.49 160.83 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-N 114.129 -1.396 . . . . 72.23 110.835 171.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.98 140.42 21.22 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 124.197 0.999 . . . . 65.13 110.014 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 57.4 Cg_endo -68.57 -24.6 35.61 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.718 2.279 . . . . 74.32 111.925 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -79.28 -20.24 48.53 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.851 1.261 . . . . 71.33 112.464 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.16 165.19 14.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.903 0.382 . . . . 74.4 110.282 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -73.87 154.99 39.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.547 0.739 . . . . 73.32 111.785 171.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 50' ' ' LEU . 51.4 mm -54.17 -27.84 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.137 1.375 . . . . 71.22 111.638 172.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -44.16 -39.73 4.53 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.989 1.716 . . . . 74.12 112.841 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -67.52 -45.3 76.17 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-O 119.242 -0.408 . . . . 72.35 110.684 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 HD11 ' A' ' 56' ' ' LEU . 57.3 t -62.58 -51.71 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.732 0.777 . . . . 74.3 109.418 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -57.83 -42.21 83.87 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 112.843 -1.981 . . . . 74.22 111.0 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.88 69.36 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.691 -0.686 . . . . 73.34 111.419 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 92.3 mttt -64.18 -52.68 57.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 72.33 110.153 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 36' ' ' ILE . 11.0 pt -70.98 -28.13 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.736 0.414 . . . . 74.3 111.3 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.06 -36.85 82.95 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.17 0.51 . . . . 74.52 111.085 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -74.56 -46.82 36.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.696 0.798 . . . . 75.13 111.124 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.7 mmtt -81.15 -57.34 3.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.158 -0.928 . . . . 73.41 110.161 -174.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.73 -6.67 45.62 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.921 0.489 . . . . 73.31 112.189 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.52 18.82 77.36 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-O 119.813 -0.437 . . . . 74.22 113.785 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.577 HD12 HG13 ' A' ' 30' ' ' ILE . 2.5 pp -76.55 119.35 77.02 Favored Pre-proline 0 CA--C 1.557 1.23 0 N-CA-C 109.163 -0.68 . . . . 75.42 109.163 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -83.91 107.53 1.32 Allowed 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.84 2.36 . . . . 70.21 110.868 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -48.87 -32.05 21.64 Favored 'Trans proline' 0 N--CA 1.514 2.69 0 C-N-CA 124.604 3.536 . . . . 71.12 114.962 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.05 -45.99 75.32 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.977 -1.01 . . . . 71.25 111.337 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 3.6 pt20 -113.27 16.73 18.99 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.26 1.024 . . . . 63.41 111.221 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 69' ' ' LEU . 46.6 tp60 -127.23 109.19 11.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.841 -1.17 . . . . 72.2 107.841 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.587 HH22 HG21 ' C' ' 756' ' ' THR . 0.5 OUTLIER -78.07 101.25 6.87 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.384 0.674 . . . . 74.13 109.887 178.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.19 116.88 17.31 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.913 0.885 . . . . 73.22 108.997 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG21 ' HH ' ' C' ' 757' ' ' TYR . 50.0 mt -124.59 131.55 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.253 -0.647 . . . . 75.31 109.253 176.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -123.71 96.75 5.08 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.964 -1.124 . . . . 73.15 107.964 -177.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.36 33.38 23.08 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.783 0.833 . . . . 74.52 111.693 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.1 -4.7 65.36 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 114.62 0.608 . . . . 75.01 114.62 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -99.15 124.36 44.13 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.875 0.838 . . . . 64.31 110.772 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -79.5 124.11 28.18 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.138 -0.69 . . . . 72.12 109.138 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 23' ' ' ILE . 32.5 mt -85.07 119.31 25.33 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.427 0.691 . . . . 74.43 112.016 -171.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 32.9 tt0 -80.95 134.67 35.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.945 0.898 . . . . 74.51 109.174 173.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.96 -54.05 8.96 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.58 1.552 . . . . 75.12 112.374 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.04 18.2 57.82 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 114.295 -1.321 . . . . 74.3 113.579 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 3.4 tpt180 -81.16 173.22 12.75 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.172 -1.047 . . . . 74.1 108.172 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.68 151.79 26.44 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.61 -0.885 . . . . 73.53 108.61 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 61' ' ' ILE . 4.1 mm? -62.15 -46.03 90.81 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 109.863 -0.421 . . . . 75.12 109.863 176.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -61.83 -29.3 70.07 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.355 0.502 . . . . 75.41 112.355 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.34 -37.73 65.24 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.986 0.915 . . . . 73.34 111.354 173.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.512 ' HH ' ' HA ' ' A' ' 50' ' ' LEU . 54.0 m-85 -92.85 -6.34 48.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.827 -0.624 . . . . 73.52 111.303 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.31 55.9 4.77 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 122.407 1.099 . . . . 64.45 109.476 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 56' ' ' LEU . 32.8 mm -70.21 95.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 113.959 -1.473 . . . . 75.45 109.078 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -79.75 166.1 22.11 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.904 -1.044 . . . . 71.45 110.331 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.7 ttmt -65.95 138.52 57.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.314 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.557 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 45.9 mt-10 63.61 25.44 14.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.057 1.343 . . . . 71.24 112.595 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -75.93 142.72 41.96 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 122.632 0.373 . . . . 64.11 110.633 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.04 110.72 21.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.426 0.69 . . . . 64.32 111.313 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HG ' ' CD2' ' A' ' 45' ' ' PHE . 2.1 tt -89.17 144.48 26.08 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.298 -1.371 . . . . 75.4 107.298 169.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.583 HD11 ' HH2' ' A' ' 10' ' ' TRP . 8.1 tp -123.78 127.23 73.72 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 121.445 0.64 . . . . 71.54 109.642 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 30' ' ' ILE . 42.9 mt -100.17 114.41 27.8 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.378 -0.828 . . . . 72.43 110.573 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.24 117.04 33.0 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.283 -1.377 . . . . 74.03 107.283 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.13 173.91 7.02 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 118.552 0.614 . . . . 70.24 110.481 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 27.6 m -35.21 109.32 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.421 1.088 . . . . 71.44 112.975 171.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' C' ' 760' ' ' ALA . 0.0 OUTLIER -135.59 -69.2 0.5 Allowed 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.762 -1.57 . . . . 74.12 106.762 176.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.504 ' HG2' HD12 ' A' ' 73' ' ' LEU . 20.3 mmt85 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.842 -1.072 . . . . 75.13 108.652 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.528 -0.229 . . . . 73.31 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.469 ' HE1' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -87.08 147.9 25.48 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.123 -1.066 . . . . 75.2 108.123 173.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.496 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 3.1 mm-40 -82.01 155.53 25.12 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.525 -0.917 . . . . 73.14 108.525 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -139.79 153.55 23.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 C-N-CA 123.651 0.78 . . . . 75.32 109.954 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.98 103.05 10.54 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.099 -0.955 . . . . 73.3 108.533 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.64 HG21 HD21 ' A' ' 15' ' ' LEU . 53.5 t -99.36 108.29 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 109.913 -0.403 . . . . 72.42 109.913 -176.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.545 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 30.6 t0 -82.37 103.49 11.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.327 -0.619 . . . . 75.54 109.327 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.0 t -97.67 146.73 25.04 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.821 1.248 . . . . 52.24 110.539 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.727 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 11.7 p -136.14 126.07 40.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.088 0.471 . . . . 64.25 111.277 166.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -132.5 141.67 48.87 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.118 -0.946 . . . . 73.34 109.026 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -68.28 151.66 46.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.861 -0.792 . . . . 74.11 108.861 168.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -148.34 112.07 5.08 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.177 -0.675 . . . . 75.3 109.177 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -93.8 130.57 39.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.687 0.795 . . . . 72.32 110.428 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 28.6 mt -110.48 160.64 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.43 1.092 . . . . 74.14 108.145 173.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 19.6 p -123.89 127.0 47.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 63.24 109.324 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.452 HD12 HG21 ' B' ' 126' ' ' VAL . 4.3 tt -133.59 150.96 51.62 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.798 -1.556 . . . . 74.12 106.798 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.6 tt0 -119.49 129.15 54.57 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.063 0.847 . . . . 72.12 109.144 168.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -132.81 169.0 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.122 0.569 . . . . 73.5 109.977 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -112.93 156.58 42.48 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 108.958 -0.756 . . . . 71.52 108.958 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -63.8 -27.6 67.79 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.181 1.921 . . . . 61.44 111.296 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -80.37 -9.68 59.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 72.12 112.903 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.86 156.65 30.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.621 0.368 . . . . 74.12 110.309 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.4 p -92.83 165.06 13.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.774 0.83 . . . . 75.42 110.84 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.426 ' HA ' HG11 ' B' ' 126' ' ' VAL . 35.2 mm -73.65 -23.14 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 114.604 -1.18 . . . . 73.41 110.612 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.48 -32.58 67.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.66 0.384 . . . . 74.03 110.028 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 62.0 m-20 -68.92 -53.87 18.63 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.159 -0.928 . . . . 65.43 110.328 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.452 HG21 HD12 ' B' ' 115' ' ' LEU . 14.4 p -62.89 -38.05 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.652 0.595 . . . . 74.52 111.177 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 54.4 pttt -70.07 -36.65 75.11 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 121.097 0.475 . . . . 74.12 110.297 176.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.52 61.09 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 119.338 -0.363 . . . . 75.24 111.603 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 73.1 mmtt -76.39 -46.3 27.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.035 0.534 . . . . 73.13 110.104 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.547 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.2 pt -66.4 -33.68 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 N-CA-C 109.976 -0.379 . . . . 73.11 109.976 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -66.91 -47.74 70.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.809 0.443 . . . . 54.41 111.978 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.58 -52.36 61.32 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.441 0.696 . . . . 65.3 110.88 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.624 ' HB3' ' HZ2' ' B' ' 133' ' ' LYS . 8.3 mtpm? -80.41 -54.15 5.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.514 -1.221 . . . . 74.33 111.691 -172.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.424 ' HG3' HD13 ' B' ' 113' ' ' ILE . 27.3 mm-40 -95.93 -15.3 22.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.512 -0.313 . . . . 75.32 111.038 -166.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.98 14.63 80.44 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.312 0.382 . . . . 72.41 112.964 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.547 HD12 ' HB ' ' B' ' 130' ' ' ILE . 88.0 mt -70.05 124.06 89.98 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 123.919 0.888 . . . . 74.33 109.822 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.645 ' HB2' ' HB2' ' B' ' 140' ' ' GLN . 34.8 Cg_endo -63.07 112.67 1.75 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 121.634 1.556 . . . . 73.42 109.077 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 56.7 Cg_endo -65.15 -42.01 14.99 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.38 2.72 . . . . 72.33 114.137 -161.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -88.87 -32.23 17.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.545 0.738 . . . . 74.32 111.319 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.774 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 23.6 mt-30 -75.68 -19.57 59.05 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.465 0.478 . . . . 70.21 111.079 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -129.58 86.11 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.563 -1.273 . . . . 74.44 107.563 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -80.82 138.37 36.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.928 -1.487 . . . . 75.31 110.724 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.2 tp -81.29 132.35 35.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.589 0.756 . . . . 73.54 109.765 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -116.81 138.37 51.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.957 0.903 . . . . 74.21 109.347 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.491 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 0.9 OUTLIER -118.65 101.78 8.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.336 -0.987 . . . . 65.13 108.336 -176.115 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.39 26.57 5.49 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.342 0.867 . . . . 74.33 113.342 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.43 36.09 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.326 0.49 . . . . 70.01 114.326 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.2 OUTLIER -137.24 117.91 13.98 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.442 -0.947 . . . . 75.4 108.442 172.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -74.22 155.71 38.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.646 0.26 . . . . 65.14 110.4 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.11 120.46 38.55 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.389 -0.967 . . . . 72.41 108.389 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.08 128.34 35.42 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.942 -0.762 . . . . 73.24 108.942 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.306 0.642 . . . . 75.41 112.124 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.41 15.26 63.65 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.69 -0.506 . . . . 72.21 113.5 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -105.35 176.95 4.99 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 117.5 0.65 . . . . 63.44 109.916 -177.018 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 19.9 m -108.84 156.61 19.46 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.596 0.759 . . . . 71.5 110.096 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.31 -42.13 96.48 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.807 0.843 . . . . 74.42 110.378 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -63.14 -31.39 72.53 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.187 0.595 . . . . 65.44 112.05 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.37 -31.1 63.49 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 74.42 111.538 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -102.06 -7.79 22.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.38 0.672 . . . . 75.54 111.666 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.71 53.88 11.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.225 1.01 . . . . 64.23 110.272 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.451 HD13 ' HE2' ' B' ' 145' ' ' PHE . 5.4 mm -59.19 124.68 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.581 1.152 . . . . 73.11 110.437 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -92.94 156.34 16.99 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.947 0.88 . . . . 74.35 111.67 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -65.65 141.58 58.34 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 114.651 -1.159 . . . . 63.2 109.186 173.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 58.32 24.41 11.56 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.992 1.317 . . . . 53.24 112.358 -172.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.7 t -62.23 119.12 8.4 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-N 118.083 0.401 . . . . 50.0 110.684 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -92.75 100.44 12.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.057 0.543 . . . . 72.22 109.894 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.13 144.6 25.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.749 0.82 . . . . 71.32 109.19 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 14.9 tt -99.89 120.67 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.977 -0.749 . . . . 73.34 108.977 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 35.9 tp -74.13 130.29 39.49 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.254 -0.647 . . . . 72.24 109.254 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.02 157.15 31.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.108 0.963 . . . . 74.53 110.116 -173.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.37 163.55 27.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.861 0.864 . . . . 75.14 110.498 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.774 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 3.8 t -57.9 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.576 1.15 . . . . 73.44 112.055 178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 21.4 tp 169.69 -93.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.223 1.809 . . . . 71.23 106.707 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' C' ' 812' ' ' ALA . 9.7 mtp180 . . . . . 0 CA--C 1.564 1.483 0 C-N-CA 126.315 1.846 . . . . 75.44 107.938 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 CA-C-O 119.561 -0.577 . . . . 60.14 113.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 76.8 p -159.78 173.61 15.74 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 74.51 110.243 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -79.21 -43.11 24.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.163 -0.471 . . . . 74.5 110.482 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.0 m 59.95 22.09 11.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.513 1.125 . . . . 64.04 112.13 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.19 127.43 19.31 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.788 1.235 . . . . 73.24 113.0 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 13.0 m -72.19 145.74 47.82 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.372 -0.831 . . . . 72.2 110.494 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.01 35.3 50.27 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 123.322 0.389 . . . . 74.02 112.693 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 27.5 ptm -68.2 158.86 32.31 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.168 0.587 . . . . 72.31 110.346 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.21 60.85 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.691 0.797 . . . . 74.04 111.971 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 20.5 t 64.07 25.62 13.81 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.354 1.462 . . . . 74.35 111.819 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -168.92 -65.25 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.988 0.515 . . . . 75.22 110.151 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . 0.426 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . -67.22 -18.39 65.22 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.174 -0.921 . . . . 73.03 112.836 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.14 -39.63 94.42 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.311 1.044 . . . . 73.13 111.273 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.21 -37.54 55.3 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.007 0.817 . . . . 74.31 111.735 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 47.6 mtmt -71.0 -58.3 3.7 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 123.723 0.809 . . . . 73.35 111.623 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.65 -46.07 14.39 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 124.741 1.276 . . . . 72.34 112.142 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -80.17 -23.59 40.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.967 -0.56 . . . . 73.12 110.494 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.92 -39.81 79.42 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.518 -0.549 . . . . 75.34 109.518 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.82 -41.26 95.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.227 1.011 . . . . 75.04 109.742 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.43 -36.92 82.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.472 -0.785 . . . . 75.41 109.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.05 -40.21 87.09 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.531 0.732 . . . . 63.11 110.229 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -61.4 -42.65 99.07 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.53 -0.759 . . . . 72.01 110.683 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -71.25 -27.14 63.24 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 114.846 -1.07 . . . . 75.44 110.324 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 756' ' ' THR . . . . . 0.587 HG21 HH22 ' A' ' 42' ' ' ARG . 81.7 m -66.36 -37.43 85.28 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.568 -0.53 . . . . 73.14 109.568 172.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.432 ' HH ' HG21 ' A' ' 44' ' ' ILE . 42.7 m-85 -64.08 -59.55 4.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 119.667 -0.206 . . . . 75.01 110.775 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.523 HG23 HD11 ' C' ' 762' ' ' LEU . 32.2 mt -61.99 -45.29 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 124.134 0.896 . . . . 75.12 110.533 -173.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.09 -42.74 84.12 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 119.116 -0.468 . . . . 72.53 110.842 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 73' ' ' LEU . . . -72.2 -36.64 69.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.311 0.485 . . . . 73.22 112.311 -175.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.508 ' HE1' HD22 ' C' ' 768' ' ' LEU . 23.8 ptm -66.96 -41.13 87.43 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 107.995 -1.113 . . . . 54.12 107.995 171.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.693 HD13 HD23 ' C' ' 808' ' ' LEU . 20.5 mt -68.62 -13.6 62.46 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.562 0.745 . . . . 75.14 112.921 173.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 95.1 m -75.49 -15.96 60.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.248 0.619 . . . . 71.31 110.675 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -120.92 -60.43 1.65 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 73.45 110.154 175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -91.66 75.36 5.81 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 107.325 -1.361 . . . . 72.55 107.325 172.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.63 28.67 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.814 1.042 . . . . 74.23 113.814 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 23.2 m -158.51 123.87 4.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.502 1.521 . . . . 72.33 107.123 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.613 HD23 ' HG ' ' C' ' 762' ' ' LEU . 0.8 OUTLIER -157.98 149.68 21.67 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.013 0.369 . . . . 71.11 111.859 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 43.6 m -74.56 150.48 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.226 0.536 . . . . 71.01 110.455 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.471 HD22 HE22 ' C' ' 796' ' ' GLN . 1.8 tp -66.86 -43.24 84.1 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.955 1.302 . . . . 71.51 112.332 -174.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.87 -36.39 48.37 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.201 0.6 . . . . 72.23 111.681 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -57.59 -61.66 2.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.158 0.983 . . . . 62.35 111.115 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.605 HD12 HD11 ' C' ' 799' ' ' LEU . 2.5 pp -72.15 -25.33 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.044 -0.98 . . . . 73.45 110.937 -172.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -62.39 -55.39 28.37 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 109.451 -0.574 . . . . 71.51 109.451 171.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -65.05 -30.16 71.1 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 123.63 0.581 . . . . 74.04 112.181 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.422 ' SD ' ' HE2' ' C' ' 761' ' ' MET . 83.2 mtp -64.77 -59.08 4.63 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.434 0.294 . . . . 71.13 110.245 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.52 -35.69 72.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.363 0.665 . . . . 75.44 111.801 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.68 -47.44 81.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.023 -0.99 . . . . 74.51 109.767 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -54.43 -55.91 24.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.364 0.665 . . . . 75.34 110.38 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.34 -23.08 66.91 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.342 0.868 . . . . 74.22 113.342 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.594 HG12 HG12 ' C' ' 790' ' ' ILE . 7.6 p -83.41 -38.64 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 118.84 0.746 . . . . 75.53 111.836 175.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.37 -22.11 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 112.592 0.59 . . . . 72.2 112.592 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 7.1 p -63.34 -19.15 64.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 112.216 0.45 . . . . 75.53 112.216 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -141.38 -171.51 12.76 Favored Glycine 0 N--CA 1.466 0.666 0 O-C-N 123.67 0.606 . . . . 62.15 111.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.27 -33.57 38.67 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.691 2.261 . . . . 74.11 111.734 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 29.65 -89.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.452 2.301 . . . . 74.13 114.723 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 -0.87 6.78 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.355 1.062 . . . . 72.05 111.177 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.31 64.31 0.97 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.747 1.219 . . . . 51.34 109.846 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 69.12 117.97 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.204 1.401 . . . . 73.43 111.644 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.594 HG12 HG12 ' C' ' 781' ' ' VAL . 26.3 pt -84.8 155.42 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.168 -1.049 . . . . 75.5 108.168 164.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -126.03 163.31 23.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.44 -0.578 . . . . 71.05 109.44 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.8 -43.35 76.77 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 124.188 0.995 . . . . 74.2 112.124 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' C' ' 794' ' ' GLU . 10.5 pt20 -48.18 -45.05 33.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 73.12 110.861 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' C' ' 793' ' ' GLN . 7.2 tp10 -86.4 -28.69 23.42 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.271 -1.331 . . . . 72.34 110.637 -173.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.575 HD22 HD11 ' C' ' 790' ' ' ILE . 1.2 tm? -81.77 -57.21 3.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.37 1.068 . . . . 70.42 109.849 -176.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . 0.471 HE22 HD22 ' C' ' 770' ' ' LEU . 11.2 mm100 -52.9 -46.47 68.01 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.239 1.016 . . . . 73.31 109.607 167.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -53.02 -44.68 62.36 Favored Glycine 0 C--N 1.355 1.63 0 O-C-N 124.481 1.113 . . . . 54.05 114.546 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -47.09 87.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.921 0.888 . . . . 74.41 110.677 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.605 HD11 HD12 ' C' ' 773' ' ' ILE . 16.9 mt -69.44 -46.13 67.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.17 -1.377 . . . . 74.45 112.531 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.7 -31.53 72.8 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.886 -0.783 . . . . 75.14 108.886 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -52.81 62.4 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 107.861 -1.163 . . . . 64.52 107.861 174.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -56.14 -37.57 69.67 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.634 0.584 . . . . 74.24 112.349 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.409 HG21 ' O ' ' C' ' 799' ' ' LEU . 93.8 t -63.39 -45.49 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 122.989 0.516 . . . . 75.55 110.745 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -79.78 -9.2 59.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.385 0.674 . . . . 73.12 112.133 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -100.79 10.38 41.21 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.737 0.815 . . . . 74.42 110.312 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 61.46 12.8 4.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.54 1.536 . . . . 73.2 113.014 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . 0.427 ' O ' ' HD2' ' C' ' 818' ' ' PRO . 17.8 mm100 -78.64 -38.96 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.565 0.746 . . . . 75.43 109.472 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.693 HD23 HD13 ' C' ' 762' ' ' LEU . 28.3 mt -126.92 157.44 39.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.106 0.962 . . . . 74.33 111.033 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . 0.462 HG13 ' HD3' ' C' ' 818' ' ' PRO . 5.1 p -128.99 131.77 67.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 107.438 -1.319 . . . . 75.2 107.438 171.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.46 109.6 21.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.345 -0.983 . . . . 74.44 108.345 -176.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.532 ' HB3' HG22 ' C' ' 814' ' ' VAL . 27.5 t -85.68 -145.27 0.1 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.381 -0.97 . . . . 71.4 108.381 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' B' ' 174' ' ' ARG . . . -72.69 75.46 1.11 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.367 0.985 . . . . 75.35 110.685 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.7 14.36 75.28 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 116.358 -0.383 . . . . 63.42 113.897 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.532 HG22 ' HB3' ' C' ' 811' ' ' SER . 10.4 m -123.49 151.59 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.148 -0.686 . . . . 74.4 109.148 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 135.3 41.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.237 -0.653 . . . . 74.23 109.237 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -125.96 137.09 53.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.682 -1.145 . . . . 74.4 108.457 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.665 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 10.3 tp -88.4 106.32 12.17 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.983 -1.117 . . . . 71.33 107.983 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . 0.462 ' HD3' HG13 ' C' ' 809' ' ' VAL . 33.1 Cg_endo -62.81 163.56 21.53 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.762 2.308 . . . . 63.53 112.215 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -67.37 92.94 0.3 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.446 -0.797 . . . . 74.21 109.516 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -74.82 -14.45 60.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.109 0.964 . . . . 53.35 110.894 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 39.8 m -65.0 88.34 0.07 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.264 1.026 . . . . 75.11 110.365 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.006 0.922 . . . . 75.34 110.415 -177.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.702 -0.159 . . . . 71.33 112.702 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.82 -176.13 5.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.076 0.941 . . . . 63.42 109.805 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -122.5 161.14 24.17 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.608 -1.633 . . . . 75.53 108.011 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.34 145.55 32.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.124 -0.695 . . . . 73.42 109.124 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CD1' HG21 ' B' ' 114' ' ' THR . 9.3 m-30 -102.87 101.81 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 106.94 -1.504 . . . . 74.41 106.94 169.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.665 HG12 HD22 ' B' ' 143' ' ' LEU . 86.1 t -91.76 96.36 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 108.548 -0.908 . . . . 72.11 108.548 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -79.42 96.48 6.06 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.358 -0.608 . . . . 71.55 109.358 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -88.7 106.12 18.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.763 0.792 . . . . 72.13 109.11 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' B' ' 110' ' ' TRP . 5.0 p -95.38 137.68 22.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 115.169 -0.923 . . . . 74.03 109.624 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -140.17 143.62 36.21 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 123.899 0.879 . . . . 51.1 109.817 -170.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.611 ' HH2' ' SD ' ' C' ' 776' ' ' MET . 0.1 OUTLIER -112.67 124.76 53.28 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.079 -1.082 . . . . 73.14 108.079 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.07 113.23 14.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.645 0.778 . . . . 72.44 110.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 19.9 m -77.59 104.17 7.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.242 -0.651 . . . . 71.14 109.242 172.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 10.3 mt -90.8 150.85 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 108.769 -0.826 . . . . 74.14 108.769 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -107.55 121.14 44.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.887 -1.153 . . . . 74.31 107.887 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD22 HG21 ' B' ' 105' ' ' VAL . 1.1 pt? -135.52 164.5 27.68 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.503 0.721 . . . . 74.45 109.111 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.53 147.48 35.27 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.442 0.697 . . . . 72.12 109.956 173.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG12 ' HE2' ' B' ' 101' ' ' MET . 11.2 p -157.39 163.05 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.236 -0.893 . . . . 72.13 110.606 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -108.01 151.53 41.33 Favored Pre-proline 0 N--CA 1.485 1.308 0 C-N-CA 123.553 0.741 . . . . 73.51 110.13 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.29 -29.48 46.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.679 2.252 . . . . 71.31 111.872 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -84.55 -9.94 57.87 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.71 1.204 . . . . 75.04 111.714 -175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -72.38 152.62 41.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 109.767 -0.457 . . . . 73.05 109.767 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -76.95 157.8 31.06 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.591 0.71 . . . . 61.54 110.253 167.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.623 HG21 ' HB3' ' A' ' 50' ' ' LEU . 42.8 mm -67.14 -26.59 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 114.881 -1.054 . . . . 74.42 109.242 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -49.02 -43.97 40.94 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.574 1.149 . . . . 74.1 111.177 170.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -57.08 -52.26 65.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.158 0.911 . . . . 73.41 111.111 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.97 -47.77 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.809 0.843 . . . . 75.33 111.435 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -72.44 -29.73 63.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.845 0.458 . . . . 75.32 111.189 -177.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.08 78.57 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.573 0.349 . . . . 71.01 110.776 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -80.08 -35.9 36.29 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.749 0.648 . . . . 74.22 112.749 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' A' ' 27' ' ' LYS . 2.9 pp -68.69 -32.8 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 119.543 1.065 . . . . 74.01 109.269 172.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.92 -43.13 89.04 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.086 -0.506 . . . . 74.44 110.566 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.67 -49.29 69.11 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.264 1.026 . . . . 75.21 111.5 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.77 -60.03 2.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.105 -0.952 . . . . 74.11 110.534 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HG2' HD11 ' A' ' 36' ' ' ILE . 5.2 tp10 -87.49 -30.45 20.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.808 0.443 . . . . 72.45 111.636 -169.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.26 25.58 16.12 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 113.476 0.15 . . . . 70.02 113.476 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 34' ' ' GLU . 27.5 mt -85.26 123.1 73.62 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 123.283 0.633 . . . . 73.4 109.946 -176.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 15.8 Cg_exo -69.4 116.09 4.36 Favored 'Trans proline' 0 CA--C 1.559 1.745 0 C-N-CA 122.484 2.123 . . . . 73.5 111.165 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.66 -24.7 54.98 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.469 2.779 . . . . 75.2 113.963 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.6 -33.69 76.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.271 -0.877 . . . . 75.14 111.821 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.504 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.6 pt20 -100.35 18.68 18.29 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.376 0.608 . . . . 74.12 111.261 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HG3' HD12 ' A' ' 69' ' ' LEU . 17.5 tt0 -105.33 142.15 35.6 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.516 1.126 . . . . 72.42 111.101 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 3.3 mpt_? -124.36 84.23 2.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.537 -1.283 . . . . 75.02 107.537 163.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 121.22 24.75 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.134 -1.432 . . . . 75.41 107.134 174.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' ' 49' ' ' GLN . 12.6 mt -126.9 139.56 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 109.466 -0.568 . . . . 65.34 109.466 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 37.8 t80 -122.96 109.91 14.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 74.43 109.055 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.32 18.68 5.68 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.074 0.95 . . . . 75.33 112.736 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' C' ' 753' ' ' LEU . . . 93.69 27.16 13.27 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 114.572 0.589 . . . . 61.31 114.572 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -139.2 119.08 13.28 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.245 -1.02 . . . . 71.22 108.245 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.583 ' HG3' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -73.04 131.01 41.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.785 0.834 . . . . 72.14 111.349 -171.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.623 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.8 mm? -73.36 98.2 2.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.301 1.04 . . . . 75.25 109.989 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 32.8 mm-40 -70.91 142.25 51.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.796 0.838 . . . . 63.02 111.669 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -41.57 -64.51 0.56 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.321 1.848 . . . . 75.04 113.132 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.88 31.46 8.17 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.836 -0.62 . . . . 71.22 113.263 -177.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 8.7 tpt180 -89.59 -179.85 5.88 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.82 -1.178 . . . . 74.2 107.82 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 151.75 36.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.278 0.631 . . . . 74.12 109.409 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.433 HD22 HD12 ' A' ' 23' ' ' ILE . 4.1 mm? -58.54 -41.74 86.23 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.328 0.651 . . . . 74.24 110.62 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -62.9 -27.19 69.2 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.173 0.989 . . . . 74.32 112.653 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.12 -31.98 70.56 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.117 0.484 . . . . 63.22 110.987 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HB2' HG13 ' A' ' 61' ' ' ILE . 75.7 m-85 -97.01 1.44 50.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.647 0.779 . . . . 73.41 110.355 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t30 59.15 30.79 20.65 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.222 1.009 . . . . 72.53 109.931 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 59' ' ' TYR . 49.5 mt -63.16 111.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 114.953 -1.021 . . . . 74.43 109.78 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -108.77 -171.82 1.93 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.395 1.078 . . . . 74.33 108.875 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -65.81 155.2 36.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.297 0.239 . . . . 74.42 110.545 177.172 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 39.27 52.14 2.14 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.093 1.757 . . . . 73.4 113.253 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.063 -0.971 . . . . 65.43 108.984 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.49 123.33 38.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.11 0.564 . . . . 74.34 111.042 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.533 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 1.2 mp -114.11 156.6 23.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.579 -1.267 . . . . 72.4 107.579 175.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.96 134.22 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.916 -0.772 . . . . 73.32 108.916 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD21 ' H ' ' B' ' 108' ' ' VAL . 39.0 tp -93.01 128.8 39.0 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.1 -0.955 . . . . 75.55 110.135 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' C' ' 760' ' ' ALA . 3.7 mp -120.57 158.37 27.48 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.371 -0.974 . . . . 73.33 108.371 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 HD11 HE21 ' A' ' 40' ' ' GLN . 22.7 tp -99.86 172.12 7.44 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.132 0.973 . . . . 74.14 110.145 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -37.28 124.85 0.99 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.259 1.424 . . . . 74.24 113.783 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.8 -70.82 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.258 -1.016 . . . . 72.31 108.258 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' HD2' HG23 ' C' ' 756' ' ' THR . 6.5 ptm180 . . . . . 0 CA--C 1.554 1.114 0 CA-C-O 118.512 -0.756 . . . . 74.53 110.156 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 N-CA-C 111.395 -0.682 . . . . 74.43 111.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.609 ' HE2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -154.38 -179.77 8.25 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.328 0.585 . . . . 75.33 111.509 -174.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.12 123.48 20.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.076 -1.453 . . . . 74.41 107.076 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.5 pt -120.95 175.92 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.105 0.562 . . . . 74.04 111.72 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.0 m-85 -120.9 113.01 19.5 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.211 -0.904 . . . . 75.41 108.631 177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 15' ' ' LEU . 63.7 t -107.62 112.85 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.666 -0.864 . . . . 73.31 108.666 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.4 t0 -80.97 96.88 7.23 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.008 -0.738 . . . . 74.41 109.008 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.6 t -98.06 143.85 28.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.929 0.891 . . . . 75.44 110.949 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.622 ' H ' HD21 ' A' ' 69' ' ' LEU . 4.9 p -109.95 135.87 47.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.093 0.557 . . . . 74.14 110.358 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.39 145.62 39.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.87 0.868 . . . . 75.05 108.983 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . 0.41 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -127.66 141.28 51.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.678 0.391 . . . . 75.53 111.264 172.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -116.02 145.1 43.26 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.367 1.067 . . . . 73.51 109.413 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 4' ' ' PHE . 28.9 m -97.02 112.54 24.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.626 0.77 . . . . 75.11 109.449 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.77 109.56 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 109.176 -0.675 . . . . 74.12 109.176 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' THR . . . . . 0.434 HG21 ' CD1' ' A' ' 4' ' ' PHE . 39.1 p -89.73 102.01 14.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.991 0.424 . . . . 73.44 110.411 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.26 171.66 7.42 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.7 -0.682 . . . . 75.41 110.091 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 25.2 mt-10 -126.77 135.35 50.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.533 0.733 . . . . 73.24 110.236 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.88 170.76 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-N 115.211 -0.904 . . . . 74.02 110.39 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -108.59 150.43 40.7 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.581 0.752 . . . . 75.12 109.711 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . 0.412 ' HB2' ' OG ' ' B' ' 157' ' ' SER . 52.1 Cg_endo -66.22 -33.35 39.95 Favored 'Trans proline' 0 C--N 1.37 1.698 0 C-N-CA 122.642 2.228 . . . . 74.21 113.006 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 62.3 p -82.91 -8.62 59.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.292 0.637 . . . . 64.34 111.898 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -74.44 158.19 34.3 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.525 -0.546 . . . . 75.4 109.525 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -93.19 171.05 9.18 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.616 0.766 . . . . 63.52 110.071 171.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.66 HG23 ' HB3' ' B' ' 150' ' ' LEU . 27.8 mm -73.99 -14.47 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-N 115.482 -0.781 . . . . 74.54 109.705 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.455 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 9.0 pt-20 -60.01 -32.24 70.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.841 0.456 . . . . 74.15 110.382 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 51.2 m-80 -66.09 -43.63 86.75 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.927 -0.397 . . . . 73.14 109.927 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.63 -48.37 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.207 0.603 . . . . 71.04 110.576 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -64.77 -36.49 84.48 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 123.29 0.368 . . . . 74.01 110.927 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.429 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -69.04 -33.11 73.07 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.468 0.48 . . . . 70.34 111.644 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.1 mmtt -77.43 -42.38 36.32 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.634 0.373 . . . . 75.24 110.922 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.521 ' HB ' HD13 ' B' ' 136' ' ' ILE . 22.9 pt -71.3 -25.53 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 117.958 0.345 . . . . 73.11 110.705 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -71.68 -46.6 58.32 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.866 0.866 . . . . 75.31 110.982 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.54 -49.82 75.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.622 0.769 . . . . 73.12 110.197 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -80.91 -62.94 1.52 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.615 -1.175 . . . . 72.25 111.296 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -98.35 -10.54 23.65 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.882 0.697 . . . . 74.24 112.882 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.8 64.95 Favored Glycine 0 N--CA 1.469 0.876 0 O-C-N 123.1 0.25 . . . . 52.15 113.165 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.521 HD13 ' HB ' ' B' ' 130' ' ' ILE . 73.6 mt -81.72 122.83 80.7 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.462 0.705 . . . . 73.42 109.553 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 32.1 Cg_exo -59.88 132.11 43.23 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.969 2.446 . . . . 72.33 112.242 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.592 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.6 Cg_endo -53.0 -41.24 72.92 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 123.411 2.741 . . . . 75.33 112.38 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.73 -39.31 65.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.485 1.114 . . . . 60.41 111.224 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' B' ' 172' ' ' THR . 6.6 mt-30 -97.76 8.25 45.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.343 -0.844 . . . . 74.42 112.957 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' B' ' 127' ' ' LYS . 0.0 OUTLIER -78.64 82.17 4.9 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.862 0.465 . . . . 74.41 110.171 178.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' B' ' 142' ' ' ARG . 0.2 OUTLIER -95.26 79.89 3.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.799 -0.815 . . . . 71.45 108.799 172.714 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.665 HD22 HG12 ' A' ' 5' ' ' VAL . 10.2 mt -89.23 113.58 24.82 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.173 -1.376 . . . . 74.25 108.748 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -100.62 112.16 24.51 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.993 -1.114 . . . . 62.25 107.993 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -110.67 106.08 15.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.062 1.345 . . . . 75.02 109.297 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.88 26.6 15.84 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 124.095 0.872 . . . . 65.24 111.459 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' C' ' 822' ' ' SER . . . 95.35 -3.53 66.3 Favored Glycine 0 C--N 1.347 1.171 0 N-CA-C 114.893 0.717 . . . . 73.43 114.893 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -97.37 126.59 42.71 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.923 -0.769 . . . . 74.3 108.923 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.9 136.79 35.3 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.927 -0.768 . . . . 73.35 108.927 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.66 ' HB3' HG23 ' B' ' 123' ' ' ILE . 10.8 mp -85.75 97.61 10.25 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.772 0.796 . . . . 74.23 112.282 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.11 132.04 35.34 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.7 -1.591 . . . . 64.12 107.382 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.624 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 24.7 m-20 -61.09 -28.29 68.98 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.138 0.975 . . . . 74.55 113.196 -168.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -77.54 -8.0 87.13 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-N 115.739 -0.664 . . . . 75.1 114.359 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.422 ' O ' HG12 ' B' ' 123' ' ' ILE . 3.8 mmp_? -88.83 156.52 18.9 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 117.283 0.542 . . . . 73.51 109.597 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 7.7 p -92.02 163.4 14.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.766 0.426 . . . . 75.04 110.185 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.59 -37.87 85.82 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 109.412 -0.588 . . . . 75.23 109.412 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.412 ' OG ' ' HB2' ' B' ' 119' ' ' PRO . 70.1 m -64.52 -29.86 70.89 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.016 0.527 . . . . 62.11 112.049 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.1 -17.31 63.84 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.185 0.594 . . . . 63.41 111.137 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.424 ' HB2' HG12 ' B' ' 161' ' ' ILE . 86.9 m-85 -102.64 -9.45 20.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.57 0.748 . . . . 73.12 111.081 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.59 52.87 10.4 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.006 0.908 . . . . 73.15 108.994 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' B' ' 159' ' ' TYR . 3.4 mm -62.31 110.51 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 114.391 -1.277 . . . . 74.54 110.18 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 147.54 36.53 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.345 -1.298 . . . . 75.21 109.426 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -65.14 127.71 32.79 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 108.915 -0.772 . . . . 73.14 108.915 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 68.64 23.36 7.2 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.608 1.193 . . . . 72.45 111.674 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.3 p -59.96 140.94 56.39 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 123.479 0.487 . . . . 74.11 110.944 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -107.16 111.5 23.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.774 0.43 . . . . 73.5 110.781 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.2 mp -113.49 148.15 36.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.459 1.104 . . . . 75.53 108.731 -172.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.42 HD13 ' HB3' ' C' ' 766' ' ' GLU . 12.9 tt -100.62 115.3 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.535 0.683 . . . . 74.21 110.651 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.607 HD11 ' HG ' ' B' ' 143' ' ' LEU . 67.8 tp -98.46 130.15 45.07 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.299 1.04 . . . . 72.33 109.818 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . 0.474 HD11 ' O ' ' C' ' 767' ' ' SER . 4.1 mt -130.8 121.8 26.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.134 0.974 . . . . 72.43 108.598 170.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.419 HD21 HG12 ' B' ' 136' ' ' ILE . 7.3 mp -74.81 85.24 2.19 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.988 0.805 . . . . 63.33 109.29 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' B' ' 140' ' ' GLN . 11.6 p -150.65 151.64 32.8 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.758 1.223 . . . . 74.01 109.202 -176.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -80.46 -57.05 3.77 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.562 0.619 . . . . 75.34 109.628 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 . . . . . 0 C--O 1.251 1.151 0 N-CA-C 107.978 -1.119 . . . . 73.22 107.978 175.146 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.482 -0.247 . . . . 64.04 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 21.5 m -71.75 -40.71 69.17 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.923 0.889 . . . . 55.22 112.059 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -99.15 126.13 44.86 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.147 0.579 . . . . 72.0 110.733 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 22.6 m -110.02 16.33 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.918 0.887 . . . . 74.14 110.975 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.71 112.54 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.825 1.25 . . . . 71.02 110.576 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 17.2 t -115.15 158.18 22.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.601 0.761 . . . . 70.42 110.415 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 153.02 -53.91 0.46 Allowed Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.096 -0.801 . . . . 61.34 111.096 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 80.9 mmm -122.02 147.19 46.39 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.283 1.033 . . . . 73.52 109.363 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -167.8 86.56 0.23 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.187 0.995 . . . . 74.43 109.675 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 55.9 m -149.59 106.25 3.54 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.413 1.085 . . . . 62.22 108.78 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 80.87 -61.9 0.22 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.751 2.021 . . . . 73.54 111.333 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.9 64.15 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.171 0.988 . . . . 74.05 111.535 -174.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -53.72 -42.74 68.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.829 1.252 . . . . 63.34 112.067 -177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.88 -54.9 27.93 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.067 0.855 . . . . 72.15 112.068 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.2 -48.23 52.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.831 0.852 . . . . 74.12 112.035 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -41.71 97.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.433 -0.803 . . . . 70.13 110.768 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -75.01 -30.89 61.25 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.44 0.462 . . . . 72.3 110.434 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -48.39 72.75 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.064 0.853 . . . . 72.04 109.954 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.46 -42.85 99.4 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.158 0.911 . . . . 70.52 110.461 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.3 -34.58 78.31 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 123.822 0.701 . . . . 71.23 109.575 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . 0.503 HD13 ' HA2' ' A' ' 47' ' ' GLY . 3.1 tm? -71.27 -41.15 70.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.32 1.048 . . . . 74.44 110.159 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.492 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 32.0 m-85 -62.92 -40.99 99.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.469 0.708 . . . . 74.41 109.433 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.426 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.5 t-105 -68.36 -45.21 73.43 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.88 -1.055 . . . . 73.15 110.407 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 756' ' ' THR . . . . . 0.456 HG23 ' HD2' ' A' ' 74' ' ' ARG . 98.6 m -63.41 -32.13 73.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.083 0.553 . . . . 74.43 110.468 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.438 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.03 -60.31 3.67 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.669 -0.696 . . . . 74.43 109.454 171.384 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' C' ' 762' ' ' LEU . 56.3 mt -62.97 -37.01 78.19 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 114.956 -1.02 . . . . 73.13 111.016 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . 0.511 ' HA ' HD13 ' C' ' 817' ' ' LEU . 52.5 mt-30 -63.56 -58.8 5.84 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.745 0.818 . . . . 74.33 110.906 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.457 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -71.71 -22.74 61.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.586 -1.188 . . . . 71.03 111.766 -170.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.669 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.7 ppp? -85.25 -37.58 19.9 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 110.166 -0.309 . . . . 63.15 110.166 172.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.669 HD22 ' SD ' ' C' ' 761' ' ' MET . 1.7 mm? -68.91 -27.75 66.06 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 123.525 0.73 . . . . 74.13 111.634 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 11.4 t -67.78 -16.82 64.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.535 0.334 . . . . 72.23 111.136 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -104.7 -53.94 2.6 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.341 0.656 . . . . 73.43 109.609 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.443 ' O ' HD11 ' C' ' 762' ' ' LEU . 3.4 mp -96.32 72.58 2.82 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.449 -0.945 . . . . 73.22 108.449 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.64 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 26.0 tt0 -78.62 76.1 5.13 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 116.449 -0.341 . . . . 70.2 110.546 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 767' ' ' SER . . . . . 0.474 ' O ' HD11 ' B' ' 170' ' ' LEU . 6.9 m 151.78 103.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 128.008 2.523 . . . . 64.1 110.011 169.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 5.4 mp -133.35 142.65 48.52 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.162 0.585 . . . . 74.13 110.236 169.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 769' ' ' SER . . . . . 0.425 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 22.9 t -58.11 144.06 41.59 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.781 -1.1 . . . . 62.44 109.316 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.426 HD11 HD12 ' C' ' 799' ' ' LEU . 5.0 tp -50.89 -36.71 39.54 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.282 0.988 . . . . 73.11 111.578 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.52 -39.25 90.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.379 0.511 . . . . 72.13 112.379 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 21.5 mtp180 -61.85 -58.53 7.59 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.648 0.379 . . . . 73.41 110.409 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.573 HD12 HD11 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -59.93 -39.86 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 115.089 -0.96 . . . . 64.31 110.618 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.43 ' HA ' HD13 ' C' ' 795' ' ' LEU . 35.4 t80 -56.98 -50.59 72.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.998 0.919 . . . . 74.35 111.303 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -67.58 -30.69 70.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.712 0.405 . . . . 63.2 111.616 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.611 ' SD ' ' HH2' ' A' ' 10' ' ' TRP . 21.3 mtm -60.73 -55.44 33.13 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.898 -0.408 . . . . 75.24 109.898 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.48 -34.45 72.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.576 0.75 . . . . 74.52 111.099 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.491 ' HA ' HG12 ' C' ' 781' ' ' VAL . 27.6 mtm180 -64.55 -44.33 91.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.142 0.577 . . . . 73.34 111.493 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.39 -50.48 67.45 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.347 0.659 . . . . 74.12 110.257 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . 0.492 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 7.1 m-85 -68.16 -35.07 77.48 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.385 -0.371 . . . . 73.41 111.574 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' C' ' 786' ' ' ALA . 6.7 p -77.54 -30.8 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.458 0.303 . . . . 75.23 111.753 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 -33.66 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 117.684 0.22 . . . . 71.23 110.978 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 25.1 p -77.4 -24.85 50.42 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 120.826 0.346 . . . . 74.42 111.483 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -114.29 174.66 15.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.529 -0.759 . . . . 73.12 112.315 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -84.57 17.7 1.69 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 123.397 2.731 . . . . 73.1 112.776 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' C' ' 781' ' ' VAL . . . -47.47 106.0 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.998 1.719 . . . . 74.0 113.964 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 36.95 38.33 0.09 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.361 2.264 . . . . 71.22 112.929 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.54 -67.36 0.25 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.123 1.369 . . . . 72.01 110.582 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -163.22 133.52 4.46 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.165 0.986 . . . . 74.01 108.455 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.54 HD12 HD12 ' C' ' 795' ' ' LEU . 31.1 pt -80.17 175.86 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.444 0.698 . . . . 75.24 109.55 167.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.65 172.67 14.68 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.992 -0.744 . . . . 74.54 108.992 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.43 -45.99 87.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.85 0.86 . . . . 74.42 111.363 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -63.99 -34.59 78.33 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.177 0.298 . . . . 73.01 110.797 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -70.4 -47.0 62.87 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.197 0.999 . . . . 73.24 110.561 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.54 HD12 HD12 ' C' ' 790' ' ' ILE . 7.6 tt -76.77 -51.2 11.83 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 124.363 1.065 . . . . 72.04 110.165 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.46 -44.69 89.35 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.825 0.85 . . . . 75.25 110.615 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.5 -34.63 86.45 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.952 0.782 . . . . 61.41 113.599 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 8.2 t80 -64.52 -51.87 60.69 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.088 0.555 . . . . 71.33 109.604 175.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.573 HD11 HD12 ' C' ' 773' ' ' ILE . 3.5 mt -66.61 -29.0 68.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.545 0.738 . . . . 74.41 112.227 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.39 -47.25 77.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.867 -0.79 . . . . 75.41 108.867 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' C' ' 805' ' ' ASP . 38.4 tptt -57.44 -50.43 73.03 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.824 1.327 . . . . 74.45 109.888 175.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -60.87 -39.76 90.43 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.169 0.803 . . . . 73.43 113.169 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 56.1 t -68.98 -44.67 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 122.926 0.49 . . . . 74.23 110.803 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -78.0 -12.02 59.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.283 0.633 . . . . 74.3 112.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . 0.4 ' HB2' ' HE3' ' C' ' 801' ' ' LYS . 21.2 t70 -94.32 -4.82 47.95 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.933 0.893 . . . . 74.43 110.863 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 64.99 14.1 9.11 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.203 1.401 . . . . 73.35 111.556 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -78.0 -22.44 49.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.028 1.331 . . . . 74.21 110.552 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.535 ' HG ' HD22 ' C' ' 817' ' ' LEU . 1.4 tt -144.24 138.7 28.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.187 -1.412 . . . . 75.22 107.187 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.93 130.32 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.039 0.536 . . . . 74.13 109.879 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -92.44 105.68 17.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.517 -1.29 . . . . 72.24 107.517 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.497 ' HB3' HG13 ' C' ' 814' ' ' VAL . 23.7 t -78.27 -146.84 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.722 0.809 . . . . 63.45 109.273 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.52 72.08 1.88 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.835 0.743 . . . . 64.52 111.486 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.18 21.42 78.04 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.86 -0.609 . . . . 60.25 112.628 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.497 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.0 p -143.17 139.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.501 0.721 . . . . 73.24 109.41 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -92.81 134.15 35.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.997 0.519 . . . . 73.31 110.761 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.64 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 5.0 ppt_? -154.19 141.31 19.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.737 0.815 . . . . 75.42 109.197 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.535 HD22 ' HG ' ' C' ' 808' ' ' LEU . 76.7 mt -71.75 143.93 87.66 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 112.08 0.4 . . . . 71.14 112.08 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -43.72 131.13 7.64 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 124.557 3.505 . . . . 73.24 115.169 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -89.4 -130.38 0.08 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 108.023 -1.103 . . . . 75.23 108.023 163.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -50.47 -45.69 56.37 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.61 0.764 . . . . 73.54 110.589 164.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 32.0 t -173.98 -78.73 0.01 OUTLIER 'General case' 0 C--O 1.244 0.798 0 N-CA-C 107.193 -1.41 . . . . 71.2 107.193 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 822' ' ' SER . . . . . 0.514 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 8.7 t . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 117.68 -1.152 . . . . 70.04 108.664 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.44 0 N-CA-C 110.765 -0.934 . . . . 74.1 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.562 ' HE1' HG13 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -160.45 149.61 17.21 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.991 0.9 . . . . 74.33 109.514 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.438 ' H ' ' NE2' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -101.4 148.3 25.32 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.419 -1.326 . . . . 73.25 107.419 176.415 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.39 164.23 31.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 C-N-CA 122.997 0.519 . . . . 73.34 110.018 -174.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' CD1' HG22 ' B' ' 114' ' ' THR . 4.9 m-85 -123.01 102.78 8.19 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.527 -1.286 . . . . 74.13 107.527 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -90.82 96.8 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.17 -1.048 . . . . 74.15 108.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.91 101.31 1.73 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.374 -0.83 . . . . 73.13 110.248 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -88.47 101.19 13.67 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.311 -0.859 . . . . 74.33 109.077 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.55 135.83 29.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 N-CA-C 108.627 -0.879 . . . . 75.25 108.627 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.63 103.18 7.98 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 72.42 107.133 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.407 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 49.9 t-105 -111.94 108.34 17.66 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 125.31 1.444 . . . . 71.44 108.099 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -154.2 134.76 13.52 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.433 0.458 . . . . 74.11 111.813 -172.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 7.5 m -76.65 116.62 17.5 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.241 -0.89 . . . . 74.13 109.16 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.82 122.11 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.079 -0.712 . . . . 72.34 109.079 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.1 m -88.99 127.56 35.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.459 -0.571 . . . . 74.55 109.459 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.51 171.17 15.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.756 1.222 . . . . 74.22 107.96 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -115.53 158.42 22.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.615 0.721 . . . . 75.22 110.32 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG21 ' HZ3' ' A' ' 29' ' ' LYS . 8.8 p -151.01 172.96 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.009 -1.45 . . . . 72.34 108.842 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 45.3 mt-10 -125.28 150.17 66.44 Favored Pre-proline 0 N--CA 1.482 1.126 0 CA-C-N 118.457 0.571 . . . . 74.34 110.414 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 29.4 Cg_endo -63.39 -30.5 72.68 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.501 2.134 . . . . 74.44 112.603 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -84.51 -4.51 58.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.904 0.882 . . . . 73.44 112.412 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' O ' HD21 ' A' ' 56' ' ' LEU . 26.3 t70 -90.15 139.25 30.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.266 -1.383 . . . . 73.1 107.266 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 19.3 p -80.94 161.39 24.34 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.795 0.807 . . . . 74.55 112.707 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 13.7 mm -66.84 -28.9 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 113.813 -1.539 . . . . 75.41 110.016 173.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -50.23 -46.57 54.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.919 1.288 . . . . 74.11 111.407 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' ND2' ' H ' ' A' ' 22' ' ' THR . 69.9 m-20 -63.93 -44.85 91.64 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.276 -0.874 . . . . 71.2 110.391 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.03 -48.91 80.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 O-C-N 123.733 0.646 . . . . 74.23 110.442 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -51.69 -53.77 35.53 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 125.261 1.424 . . . . 74.33 111.146 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.37 65.32 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-N 114.829 -1.078 . . . . 75.14 112.92 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HZ3' HG21 ' A' ' 17' ' ' VAL . 15.3 ptpt -82.22 -34.7 28.79 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.164 0.586 . . . . 74.21 110.172 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.533 ' HB ' HD12 ' A' ' 36' ' ' ILE . 14.7 pt -75.55 -34.68 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.482 -0.562 . . . . 73.14 109.482 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.3 -34.96 79.57 Favored 'General case' 0 C--N 1.362 1.137 0 CA-C-N 116.154 -0.476 . . . . 71.32 110.534 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.67 -52.39 38.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.81 0.444 . . . . 71.52 111.074 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 44.5 mmtm -76.98 -64.09 1.21 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.722 -0.672 . . . . 73.13 111.624 -171.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.97 -18.89 38.34 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.402 0.681 . . . . 73.42 111.571 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.97 78.8 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.315 0.384 . . . . 73.54 112.279 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.533 HD12 ' HB ' ' A' ' 30' ' ' ILE . 11.8 pt -88.86 113.73 57.12 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.595 0.758 . . . . 70.44 110.007 -176.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.8 Cg_endo -81.36 134.79 9.13 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.06 2.506 . . . . 65.14 111.521 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -59.13 -42.98 45.6 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 123.621 2.881 . . . . 74.41 113.628 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.58 -33.41 75.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.526 0.731 . . . . 62.13 111.265 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -16.55 24.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.335 1.054 . . . . 74.54 110.613 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.721 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 68.4 mt-30 -140.06 98.2 3.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 71.12 109.282 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.528 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -76.8 103.05 6.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.562 0.745 . . . . 71.43 110.22 -176.392 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 67' ' ' LEU . 4.1 tt -71.86 111.9 7.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.278 1.031 . . . . 65.21 110.214 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.671 HG12 ' HG2' ' A' ' 49' ' ' GLN . 9.1 mt -110.28 133.24 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.302 -0.999 . . . . 74.55 108.302 168.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 20.3 t80 -120.63 119.66 33.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.652 1.181 . . . . 73.22 109.288 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.96 19.26 11.49 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 124.02 0.825 . . . . 62.22 112.321 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.46 29.85 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 115.251 -0.886 . . . . 74.55 113.703 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -143.17 117.98 9.92 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.959 0.904 . . . . 75.01 109.52 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.671 ' HG2' HG12 ' A' ' 44' ' ' ILE . 77.2 mt-30 -70.87 129.45 39.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.302 -0.629 . . . . 63.15 109.302 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD23 ' HB3' ' A' ' 45' ' ' PHE . 21.3 mt -87.35 117.34 26.05 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.308 -174.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.84 123.17 25.84 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.31 -0.859 . . . . 73.11 109.068 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.2 p-10 -61.68 -23.85 66.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.141 0.976 . . . . 74.33 112.037 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.28 0.96 52.08 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.878 -0.601 . . . . 75.5 114.33 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -111.43 178.8 4.21 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.807 0.804 . . . . 75.21 110.807 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.4 m -115.72 159.17 21.75 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.117 0.967 . . . . 73.42 109.586 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 21' ' ' ASP . 4.4 mm? -62.12 -41.71 98.51 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.149 0.579 . . . . 73.44 112.221 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -30.67 71.74 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.362 0.505 . . . . 75.01 112.362 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 55' ' ' THR . 16.4 t70 -55.79 -33.19 64.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.493 0.717 . . . . 71.43 111.259 174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.84 -12.23 29.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.401 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.34 45.86 22.08 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.41 1.084 . . . . 73.44 110.233 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 HD12 HD12 ' A' ' 56' ' ' LEU . 34.4 mt -71.27 119.68 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 73.32 109.399 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -98.06 -171.76 2.22 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.102 0.961 . . . . 75.21 109.821 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.4 147.24 36.13 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 120.829 0.347 . . . . 73.11 111.273 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 55.93 31.74 18.44 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.614 1.566 . . . . 74.22 112.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -73.59 136.15 43.93 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 123.277 0.631 . . . . 74.32 109.327 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.93 129.08 46.73 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.379 0.609 . . . . 74.54 111.312 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -126.04 164.82 20.01 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.189 1.795 . . . . 75.25 107.128 -177.014 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.17 133.98 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.172 0.511 . . . . 75.4 111.096 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.721 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mp -87.05 122.59 31.08 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.197 -0.911 . . . . 74.31 108.966 165.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 3.2 mm? -95.17 125.5 39.86 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.097 -1.446 . . . . 75.44 107.097 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.563 ' HB2' HG11 ' B' ' 108' ' ' VAL . 2.3 tt -70.01 149.12 48.05 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.835 -0.802 . . . . 75.34 108.835 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.45 ' N ' HD23 ' A' ' 71' ' ' LEU . 31.8 m -34.17 104.22 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.279 1.832 . . . . 70.02 113.495 -177.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HA ' HG23 ' C' ' 763' ' ' THR . 3.3 pp -79.58 -18.74 51.01 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 115.283 -0.871 . . . . 74.03 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' HD11 ' A' ' 73' ' ' LEU . 6.6 ptm180 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 124.812 1.245 . . . . 75.02 109.06 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.333 -0.307 . . . . 62.42 112.333 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.29 152.89 26.67 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.79 0.805 . . . . 60.23 110.264 -175.017 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.95 151.45 23.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.524 -1.217 . . . . 74.44 109.504 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -143.68 164.13 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 121.386 0.612 . . . . 74.24 110.828 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.478 ' HB3' HG23 ' A' ' 12' ' ' THR . 19.4 m-85 -124.98 104.25 8.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.9 -1.045 . . . . 75.5 108.726 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.4 m -101.62 105.68 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.214 0.915 . . . . 73.3 108.705 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.583 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 13.9 t0 -75.35 136.43 40.82 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.627 -0.879 . . . . 75.3 108.627 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.5 t -132.69 141.11 48.43 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 121.27 0.557 . . . . 74.25 110.702 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 71' ' ' LEU . 2.0 p -119.21 124.09 72.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.125 -1.398 . . . . 71.11 108.103 171.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -133.79 146.55 50.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.635 -0.876 . . . . 73.01 108.635 169.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -132.41 131.12 41.46 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.025 -1.102 . . . . 75.12 108.025 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -139.55 158.56 43.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.672 1.189 . . . . 74.14 108.938 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 42.7 m -123.42 120.83 34.11 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.672 0.789 . . . . 72.12 109.424 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 34.1 mm -99.07 110.07 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.35 -0.982 . . . . 74.43 108.35 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' THR . . . . . 0.486 HG22 ' CD1' ' A' ' 4' ' ' PHE . 28.0 p -91.0 118.17 30.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.432 -0.581 . . . . 72.11 109.432 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.46 159.73 40.69 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.177 0.591 . . . . 74.3 110.135 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.89 143.16 30.43 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.312 -0.625 . . . . 63.34 109.312 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.562 HG13 ' HE1' ' A' ' 1' ' ' MET . 7.8 p -146.52 165.45 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 115.057 -0.974 . . . . 75.43 109.636 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -113.92 152.6 45.82 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.141 0.576 . . . . 73.15 110.487 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.66 -30.32 69.95 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.654 2.236 . . . . 74.52 112.106 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -88.01 0.42 55.96 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.062 0.945 . . . . 62.42 112.157 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -78.51 154.52 30.41 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.152 -0.684 . . . . 75.22 109.152 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -99.71 151.7 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.727 -0.67 . . . . 62.24 109.7 169.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.434 HD11 HD22 ' B' ' 156' ' ' LEU . 26.2 mm -56.36 -17.09 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 C-N-CA 125.588 1.555 . . . . 70.32 112.008 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 0.7 OUTLIER -56.55 -29.3 61.82 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.724 0.81 . . . . 75.33 110.916 176.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 3.5 p30 -61.33 -45.74 93.15 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 123.549 0.53 . . . . 64.24 109.609 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.11 -48.96 77.34 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 C-N-CA 123.835 0.854 . . . . 74.13 110.24 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -63.97 -35.86 82.08 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.426 -0.352 . . . . 71.32 110.285 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.69 85.81 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.523 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 32.0 mmtp -69.81 -42.56 73.54 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.973 0.509 . . . . 74.44 111.824 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.7 pt -68.2 -30.78 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-N 118.447 0.567 . . . . 73.02 110.12 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.96 -25.17 48.03 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.673 0.789 . . . . 73.25 111.972 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.21 -41.34 25.36 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.872 0.869 . . . . 75.21 110.263 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.42 -63.31 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.648 -1.16 . . . . 74.23 111.136 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.74 -7.87 22.22 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.297 0.481 . . . . 62.55 112.297 -171.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 75.22 27.35 64.14 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-O 119.631 -0.538 . . . . 71.4 113.582 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.88 109.26 14.17 Favored Pre-proline 0 CA--C 1.557 1.23 0 C-N-CA 123.782 0.833 . . . . 75.14 110.131 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 6.8 Cg_exo -70.85 140.26 38.21 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.434 2.09 . . . . 74.1 110.475 171.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.463 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 13.8 Cg_endo -55.08 -33.32 83.22 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.719 2.946 . . . . 63.33 113.437 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.41 -25.56 66.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.492 1.517 . . . . 72.15 113.039 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -100.98 5.1 43.01 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.557 0.743 . . . . 73.24 111.443 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -145.18 145.37 31.32 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.327 0.492 . . . . 63.12 112.327 -173.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.439 ' HD2' ' H ' ' B' ' 173' ' ' LEU . 0.0 OUTLIER -107.07 101.55 10.96 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.231 -1.026 . . . . 71.2 108.231 170.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.402 ' HB2' HE22 ' B' ' 141' ' ' GLN . 54.4 tp -83.42 106.25 15.02 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 107.431 -1.322 . . . . 73.1 107.431 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.59 141.25 30.86 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.012 -0.736 . . . . 52.45 109.012 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.409 ' HB3' HD22 ' B' ' 150' ' ' LEU . 20.4 t80 -142.61 112.89 7.17 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.224 1.41 . . . . 74.4 107.24 177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 63.0 20.88 12.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.866 0.866 . . . . 75.42 112.791 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.13 60.29 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.876 -0.402 . . . . 73.34 114.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -132.21 135.69 46.5 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.079 -0.711 . . . . 75.44 109.079 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -76.26 150.86 36.93 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.233 0.54 . . . . 71.21 110.073 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.426 HD11 HD21 ' B' ' 167' ' ' LEU . 48.5 mt -98.45 110.32 22.93 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.42 -0.809 . . . . 75.24 110.089 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 40.6 mt-10 -65.88 128.74 37.21 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.47 -0.937 . . . . 74.44 108.47 172.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.542 ' HB2' ' HG2' ' B' ' 127' ' ' LYS . 8.8 p-10 -60.89 -32.45 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.388 0.675 . . . . 63.42 111.605 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.18 -1.49 90.37 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.561 -0.577 . . . . 63.34 114.429 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 173.31 7.67 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 117.642 0.721 . . . . 73.43 109.188 -175.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 29.2 m -105.41 155.41 19.16 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 75.04 111.2 -173.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.434 HD22 HD11 ' B' ' 123' ' ' ILE . 4.3 mm? -61.97 -45.43 93.69 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.795 0.838 . . . . 74.54 110.858 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.4 t -62.4 -32.56 73.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.264 -0.425 . . . . 71.23 112.129 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.78 -35.0 65.78 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.741 0.65 . . . . 64.13 111.761 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.446 ' HB2' HD12 ' B' ' 161' ' ' ILE . 94.1 m-85 -99.14 -10.84 21.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.11 -0.495 . . . . 73.11 110.587 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 9.2 t30 60.07 63.89 1.35 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.147 0.904 . . . . 75.22 110.423 -171.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.446 HD12 ' HB2' ' B' ' 159' ' ' TYR . 2.0 mp -68.15 119.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.334 -0.848 . . . . 74.42 108.996 167.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.04 162.5 17.56 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.917 0.865 . . . . 75.54 110.86 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -68.84 140.2 55.21 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.766 -0.827 . . . . 74.45 108.766 171.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.97 15.97 10.28 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.866 1.266 . . . . 70.31 111.976 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.8 t -50.78 132.6 26.49 Favored 'General case' 0 C--N 1.374 1.674 0 N-CA-C 112.681 0.622 . . . . 63.12 112.681 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -101.73 105.53 16.43 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.047 0.451 . . . . 51.5 109.941 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.481 ' N ' HD13 ' B' ' 167' ' ' LEU . 1.6 mp -102.93 163.17 12.37 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.432 -1.322 . . . . 73.1 107.432 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 9.1 tt -133.41 122.75 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.612 0.72 . . . . 73.01 110.618 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.42 107.33 15.0 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.783 -1.099 . . . . 74.54 109.615 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.98 159.36 14.96 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.634 -0.876 . . . . 74.51 108.634 169.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.51 176.0 3.73 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.904 0.882 . . . . 74.5 109.676 165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 4.3 t -54.52 91.71 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.36 0 CA-C-O 121.801 0.81 . . . . 64.11 110.927 173.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.439 ' H ' ' HD2' ' B' ' 142' ' ' ARG . 41.7 tp -168.58 141.66 2.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.904 -1.044 . . . . 72.32 110.321 -173.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 . . . . . 0 C--O 1.252 1.227 0 N-CA-C 108.364 -0.976 . . . . 71.2 108.364 171.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 111.795 -0.522 . . . . 71.31 111.795 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 19.9 t -145.82 37.26 1.07 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.854 0.835 . . . . 70.11 110.143 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.72 9.88 8.74 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.819 1.248 . . . . 74.03 112.179 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 46.7 p -90.36 7.93 36.06 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.38 1.072 . . . . 74.21 111.564 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.34 144.96 55.08 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.226 1.01 . . . . 75.21 111.603 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 25.0 p -162.79 120.96 2.06 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.334 0.654 . . . . 74.42 109.957 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -151.12 173.05 30.67 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.369 0.418 . . . . 53.33 112.57 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 92.9 mmm -100.37 146.86 26.47 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.485 1.114 . . . . 63.42 110.666 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 59.37 42.72 17.6 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.66 1.184 . . . . 75.12 110.768 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 36.5 t -67.77 -10.65 54.53 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.925 -1.034 . . . . 75.41 112.934 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -72.97 -33.74 66.03 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.205 0.526 . . . . 73.01 110.013 173.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.62 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.346 0.658 . . . . 73.42 109.987 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.46 -39.45 94.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.618 -0.719 . . . . 71.33 110.099 174.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -47.57 -58.07 4.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.543 1.137 . . . . 74.12 111.814 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 5.7 ptpp? -70.09 -41.42 74.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.452 -0.794 . . . . 75.42 113.133 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.3 -50.58 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.725 0.41 . . . . 73.02 110.576 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.71 -25.77 64.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.477 -0.783 . . . . 73.11 111.197 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -54.54 44.36 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.683 -0.858 . . . . 74.35 108.683 172.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 76.0 mt -60.87 -39.49 89.4 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.467 1.105 . . . . 73.21 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.83 -35.87 81.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.821 0.849 . . . . 75.41 109.708 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.71 -38.46 67.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.471 0.708 . . . . 63.21 110.775 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.4 ' HE2' HD13 ' C' ' 787' ' ' LEU . 28.4 m-85 -65.4 -34.89 79.37 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.248 0.547 . . . . 73.21 109.579 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -71.78 -33.31 68.49 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 115.121 -0.945 . . . . 75.54 110.403 172.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 85.6 m -64.65 -32.94 74.83 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.764 0.711 . . . . 64.12 109.309 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.86 -65.86 0.62 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 74.14 110.679 170.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 51.1 mt -63.67 -26.72 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.355 0.662 . . . . 74.44 111.73 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . 0.559 ' HA ' HD12 ' C' ' 817' ' ' LEU . 6.5 tt0 -75.74 -53.78 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.367 -0.605 . . . . 74.44 109.367 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.27 63.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.629 -0.714 . . . . 75.2 112.021 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.63 ' HE1' HD21 ' C' ' 768' ' ' LEU . 26.1 ttt -78.71 -60.71 2.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.928 -0.767 . . . . 73.4 108.928 176.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 9.6 mp -74.54 -13.67 60.7 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.677 0.621 . . . . 75.3 112.677 -173.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 763' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 73' ' ' LEU . 5.3 t -64.01 -16.81 62.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.094 0.473 . . . . 70.32 111.401 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . 0.446 ' ND2' HG21 ' C' ' 763' ' ' THR . 46.6 m-80 -128.65 -38.16 1.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.887 0.875 . . . . 75.4 110.251 171.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 9.7 tp -90.12 56.66 3.5 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.454 1.102 . . . . 74.25 108.932 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.3 55.31 2.83 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.168 0.987 . . . . 63.52 111.759 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 48.2 m -175.4 91.84 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.519 1.128 . . . . 61.11 109.053 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.63 HD21 ' HE1' ' C' ' 761' ' ' MET . 1.7 pp -159.95 154.05 23.32 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 113.056 0.762 . . . . 74.23 113.056 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.5 t -74.85 159.28 32.09 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.136 0.574 . . . . 65.41 110.93 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -42.27 79.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.667 1.187 . . . . 72.21 110.038 170.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.39 -44.38 44.98 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.733 0.813 . . . . 75.54 111.93 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' C' ' 776' ' ' MET . 27.0 mtp85 -61.12 -63.78 1.18 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.147 0.904 . . . . 72.32 110.564 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.94 -23.46 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 123.831 0.707 . . . . 75.24 112.26 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.581 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 56.4 t80 -62.79 -55.18 28.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.252 -0.647 . . . . 74.31 109.252 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.16 -37.77 78.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 123.811 0.694 . . . . 74.44 111.511 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 95.7 mmm -59.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.41 -0.813 . . . . 71.22 109.839 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.602 ' HB3' HD11 ' C' ' 790' ' ' ILE . 10.1 mp -55.67 -32.52 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.815 -0.63 . . . . 75.54 112.646 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.472 ' O ' HG13 ' C' ' 781' ' ' VAL . 10.7 mmm180 -63.23 -52.77 60.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.162 0.585 . . . . 75.31 111.134 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.51 93.68 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.736 -0.386 . . . . 73.41 110.041 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.0 -39.87 93.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.291 0.478 . . . . 74.1 112.291 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.472 HG13 ' O ' ' C' ' 778' ' ' ARG . 3.9 p -75.51 -34.16 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.022 -0.535 . . . . 74.44 111.161 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 22.3 m -88.66 -23.77 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 113.121 0.786 . . . . 74.3 113.121 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.5 p -72.08 -21.51 61.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.253 0.549 . . . . 74.04 111.08 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -117.58 179.32 17.26 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 114.867 -1.061 . . . . 72.24 111.871 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.23 -3.18 13.5 Favored 'Trans proline' 0 C--N 1.369 1.639 0 C-N-CA 122.739 2.293 . . . . 71.03 112.174 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -41.44 101.23 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.329 1.852 . . . . 71.34 112.676 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . 0.4 HD13 ' HE2' ' C' ' 754' ' ' PHE . 30.7 mt 57.16 11.38 1.03 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.375 1.07 . . . . 70.35 113.77 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.27 -70.33 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.492 1.117 . . . . 61.41 110.266 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.72 131.43 2.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.428 1.091 . . . . 72.1 108.533 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.602 HD11 ' HB3' ' C' ' 777' ' ' LEU . 15.4 pt -79.87 154.4 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.556 0.742 . . . . 75.41 110.006 169.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.73 173.51 6.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.172 -0.922 . . . . 72.52 109.602 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.2 -40.88 48.46 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 124.326 1.051 . . . . 74.45 112.359 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -60.57 -44.06 96.6 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.341 0.656 . . . . 74.34 111.405 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.4 -56.38 14.69 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.64 0.776 . . . . 75.35 110.217 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.581 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -53.16 -61.33 2.37 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.937 1.695 . . . . 62.13 111.195 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -58.51 -47.37 84.35 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.043 1.337 . . . . 44.4 111.084 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -59.61 -33.69 78.28 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.319 0.387 . . . . 51.1 113.552 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -72.08 -52.36 17.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.897 0.879 . . . . 71.31 109.953 -176.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 55.5 mt -59.71 -39.78 85.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.12 -1.4 . . . . 72.43 111.094 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.8 OUTLIER -57.13 -52.73 64.13 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.565 1.165 . . . . 75.34 108.872 177.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.85 -49.58 72.94 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 124.506 1.129 . . . . 75.44 109.378 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.581 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -54.68 -40.64 69.32 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 112.329 0.492 . . . . 75.2 112.329 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.78 -37.54 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 123.111 0.565 . . . . 71.04 111.441 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 11.5 mmm180 -67.68 -38.24 83.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.199 0.6 . . . . 75.21 111.304 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -83.85 -1.25 54.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.265 1.426 . . . . 72.43 111.476 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 66.08 16.94 10.64 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.581 1.552 . . . . 73.14 111.464 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -81.59 -11.38 59.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.397 1.479 . . . . 75.42 110.894 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.9 OUTLIER -147.16 142.89 27.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.484 -0.932 . . . . 73.23 108.484 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.0 t -105.45 120.27 55.93 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 123.378 0.671 . . . . 72.45 109.623 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -97.18 110.58 23.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.379 1.071 . . . . 75.34 108.189 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 29.4 t -87.59 -144.96 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.569 -0.9 . . . . 73.2 108.569 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.54 75.49 1.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.648 0.658 . . . . 72.51 110.757 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.46 14.07 81.25 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 115.554 -0.748 . . . . 74.54 113.754 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.17 146.67 32.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 122.969 0.507 . . . . 72.12 109.906 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -99.31 148.86 23.72 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 123.248 0.619 . . . . 75.13 110.863 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -158.06 141.78 15.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.89 -1.504 . . . . 75.33 109.7 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' C' ' 759' ' ' GLN . 39.8 mt -82.88 131.35 54.53 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 119.421 -0.323 . . . . 73.23 110.939 173.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.68 148.0 32.19 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.696 2.264 . . . . 72.44 111.385 172.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -93.4 -25.13 17.81 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.66 0.784 . . . . 73.25 110.634 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.84 148.93 35.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.773 0.829 . . . . 73.24 109.009 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.47 168.3 16.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.167 0.587 . . . . 63.15 110.199 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.558 1.275 0 C-N-CA 124.011 0.924 . . . . 61.11 110.358 -179.277 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.895 -0.482 . . . . 73.33 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.571 ' HG3' HG23 ' B' ' 161' ' ' ILE . 1.4 pmm? -158.18 -169.99 2.98 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.764 0.792 . . . . 74.12 109.653 177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -138.62 158.7 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 125.189 1.395 . . . . 74.02 107.879 175.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.407 HD13 HD12 ' B' ' 115' ' ' LEU . 19.3 pt -134.56 163.83 35.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 CA-C-O 121.576 0.703 . . . . 75.34 110.81 175.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.36 103.72 9.72 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.135 -1.431 . . . . 70.51 107.135 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.7 t -91.87 95.03 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 108.085 -1.08 . . . . 73.24 108.085 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.59 97.51 0.79 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.623 0.769 . . . . 75.1 109.652 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.486 HG21 HD21 ' B' ' 169' ' ' LEU . 40.0 p -88.06 107.26 18.66 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.806 -0.813 . . . . 74.14 108.806 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.84 123.29 56.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-N 115.189 -0.914 . . . . 72.32 109.392 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 24.3 mp0 -103.35 82.92 2.11 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.121 -1.437 . . . . 72.2 107.121 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -97.99 104.17 16.18 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 106.628 -1.619 . . . . 75.45 106.628 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -160.26 133.61 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.509 0.559 . . . . 73.33 112.509 -165.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 9.6 m -76.38 109.93 10.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.665 0.786 . . . . 72.12 109.392 173.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 18.9 mm -93.59 154.36 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 108.711 -0.848 . . . . 61.33 108.711 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -117.98 129.33 55.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.327 -0.619 . . . . 74.34 109.327 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.36 169.94 16.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.231 1.012 . . . . 74.24 108.447 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 4.3 tm-20 -121.82 134.58 54.9 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.969 -0.752 . . . . 73.5 108.969 -172.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' HE3' ' B' ' 101' ' ' MET . 2.7 m -139.06 175.42 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.53 0.732 . . . . 72.41 111.94 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 72.0 mm-40 -107.42 150.86 40.58 Favored Pre-proline 0 N--CA 1.472 0.672 0 CA-C-N 115.258 -0.883 . . . . 74.54 109.606 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.26 -42.06 30.85 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 122.416 2.078 . . . . 65.03 112.031 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -87.81 2.05 52.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.053 0.541 . . . . 62.21 111.37 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.775 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 2.0 t70 -79.33 165.43 23.16 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.575 -0.898 . . . . 72.11 108.575 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -92.91 164.1 13.44 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.469 0.708 . . . . 74.23 111.209 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.66 HG22 ' HB3' ' A' ' 50' ' ' LEU . 29.7 mm -75.58 -19.81 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-N 115.09 -0.959 . . . . 74.21 110.525 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.93 -23.01 64.94 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.929 0.892 . . . . 63.43 110.854 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 57.9 t-20 -53.63 -62.49 1.62 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.312 1.445 . . . . 75.24 109.584 169.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.23 -42.12 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.884 -1.053 . . . . 74.1 110.23 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 35.5 ttpt -53.68 -52.44 60.0 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.523 1.14 . . . . 70.15 111.566 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.78 69.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.517 -0.765 . . . . 73.32 111.531 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.9 mmtp -63.95 -50.37 68.9 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.017 0.527 . . . . 72.52 111.088 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.29 -31.62 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.357 0.263 . . . . 75.43 110.381 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.46 -34.74 72.77 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.76 0.314 . . . . 74.31 111.091 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.58 -48.9 23.99 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.484 0.659 . . . . 74.33 110.866 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -84.47 -59.1 2.48 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.607 -1.179 . . . . 71.23 111.105 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.47 -28.67 31.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.284 0.634 . . . . 72.24 110.637 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.41 16.09 69.77 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.485 -0.78 . . . . 74.21 112.852 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 71.0 mt -70.67 117.17 52.98 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.05 0.54 . . . . 71.4 109.777 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.7 Cg_exo -77.76 118.79 4.59 Favored 'Trans proline' 0 CA--C 1.558 1.711 0 C-N-CA 123.244 2.63 . . . . 72.54 111.634 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.502 ' HB3' ' HG3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -56.24 -41.89 71.83 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 124.171 3.247 . . . . 73.12 114.834 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.39 -27.78 66.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.659 0.784 . . . . 71.51 112.779 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.8 pt20 -116.41 18.17 15.25 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.103 0.561 . . . . 72.14 111.713 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' NE2' HD22 ' A' ' 69' ' ' LEU . 2.1 pt20 -113.09 147.4 37.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.383 0.611 . . . . 75.33 110.335 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 16.0 mtp180 -113.19 92.06 3.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.066 -1.087 . . . . 73.11 108.066 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HG ' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -78.32 116.09 18.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.288 -1.005 . . . . 71.42 108.288 179.057 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.64 135.0 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 118.159 0.436 . . . . 74.52 110.74 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 45.1 t80 -131.54 112.06 12.3 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 125.348 1.459 . . . . 75.44 108.522 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.44 21.6 8.62 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.296 0.997 . . . . 52.2 112.468 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.2 54.59 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 114.829 0.692 . . . . 72.03 114.829 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -123.64 145.47 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.603 0.701 . . . . 73.31 110.5 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 132.9 35.19 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.963 0.905 . . . . 74.24 110.996 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.66 ' HB3' HG22 ' A' ' 23' ' ' ILE . 1.5 mm? -91.05 108.29 19.77 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.574 0.75 . . . . 73.44 109.294 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 40.7 mt-10 -85.72 135.29 33.81 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.188 -1.042 . . . . 74.02 108.188 171.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p-10 -63.81 -36.9 85.43 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.945 0.403 . . . . 75.1 111.345 -170.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 14.59 48.71 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.156 -0.475 . . . . 71.05 113.32 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tpt180 -98.7 165.07 11.97 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.612 -1.255 . . . . 74.41 107.612 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -96.96 157.61 15.82 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.527 0.603 . . . . 73.53 110.19 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.8 -37.99 80.7 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.258 -0.645 . . . . 74.01 109.258 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -67.01 -28.92 68.64 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.497 1.119 . . . . 71.35 112.66 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.85 -37.95 69.43 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.286 0.565 . . . . 71.12 110.494 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.9 m-85 -94.73 -0.01 54.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.958 -1.019 . . . . 73.21 111.076 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 t30 59.77 36.5 22.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.114 0.959 . . . . 72.43 110.404 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.561 HG13 ' HB2' ' A' ' 59' ' ' TYR . 38.5 mt -66.03 115.97 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.815 -1.084 . . . . 72.32 111.13 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.8 -170.89 1.79 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.536 1.134 . . . . 70.5 109.865 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.8 ttmt -72.59 143.91 48.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.844 0.457 . . . . 74.01 110.102 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 42.5 mt-10 60.43 26.54 16.12 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.632 1.573 . . . . 74.43 113.227 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.468 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.9 m -75.05 122.42 23.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.847 0.459 . . . . 63.42 110.632 177.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.52 127.9 40.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.502 0.721 . . . . 72.2 111.073 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -126.81 133.85 50.69 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.151 -1.425 . . . . 75.52 107.151 177.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 tt -99.82 137.9 25.86 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.521 0.677 . . . . 75.42 110.116 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD21 ' HG ' ' A' ' 43' ' ' LEU . 64.6 mt -98.92 104.23 16.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.454 -1.248 . . . . 72.14 108.299 174.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 78.7 mt -92.56 158.78 15.81 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.365 -0.976 . . . . 72.43 108.365 176.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 tp -100.47 168.91 9.44 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 109.125 -0.694 . . . . 72.21 109.125 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.87 109.48 0.2 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.419 1.088 . . . . 75.52 110.76 170.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.582 HD13 ' HB1' ' C' ' 760' ' ' ALA . 4.3 tt -82.13 -72.22 0.45 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.887 -1.153 . . . . 74.14 107.887 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 0 N-CA-C 108.164 -1.05 . . . . 72.52 108.164 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.227 -0.749 . . . . 65.23 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -156.31 158.93 38.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.358 0.663 . . . . 74.12 111.22 -175.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.708 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 16.1 mp0 -109.66 123.57 49.7 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.67 -1.233 . . . . 73.51 107.67 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.2 pt -120.48 165.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 123.112 0.565 . . . . 74.13 110.966 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 12.6 m-85 -110.24 124.94 52.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.323 -0.853 . . . . 61.43 108.847 -176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.5 108.04 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 107.888 -1.152 . . . . 70.35 107.888 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 8.5 t0 -74.54 102.39 4.5 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.487 -0.931 . . . . 63.42 108.487 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.48 ' HA ' HD12 ' A' ' 69' ' ' LEU . 62.2 p -90.46 140.79 29.4 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.632 1.173 . . . . 73.35 111.273 -172.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.412 HG11 ' OD1' ' C' ' 764' ' ' ASN . 44.8 t -116.61 109.17 27.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 124.518 1.136 . . . . 75.02 109.051 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 1.8 mp0 -115.98 139.47 50.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.325 -1.361 . . . . 74.43 107.325 169.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -135.89 132.85 37.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.96 -1.496 . . . . 75.32 106.96 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -150.86 123.04 8.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.97 0.794 . . . . 74.52 109.571 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 124.44 31.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.796 0.438 . . . . 71.11 109.886 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mm -100.26 111.24 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.617 -0.882 . . . . 74.44 108.617 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.5 m -93.54 119.99 33.27 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.594 -0.521 . . . . 72.1 109.594 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -137.96 168.57 19.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.202 0.601 . . . . 73.5 110.106 176.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 6.2 mp0 -106.15 150.26 26.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.744 0.818 . . . . 75.01 109.376 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.41 HG11 ' SD ' ' A' ' 1' ' ' MET . 7.2 p -152.51 164.07 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.936 0.772 . . . . 61.43 109.147 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -113.81 152.3 45.46 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 123.084 0.554 . . . . 74.03 110.648 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.2 -29.52 64.57 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 123.136 2.557 . . . . 75.42 112.806 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 24.7 m -78.71 -17.59 55.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.813 0.845 . . . . 74.54 112.117 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.73 156.96 28.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.657 0.383 . . . . 73.13 110.51 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 3.3 p -86.57 158.08 19.59 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.211 0.605 . . . . 72.13 110.751 173.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.603 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 27.4 mm -61.86 -25.48 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.918 -1.037 . . . . 71.12 109.48 168.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.544 ' HA ' ' HB2' ' B' ' 152' ' ' ASP . 7.9 tt0 -48.7 -33.22 9.72 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.82 1.248 . . . . 72.12 112.74 173.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -43.71 93.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 123.505 0.503 . . . . 74.22 110.446 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 24.9 t -68.24 -40.57 82.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.161 0.584 . . . . 71.24 110.233 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -55.9 -51.09 68.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.017 0.927 . . . . 73.24 110.911 172.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -32.25 71.82 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.56 -1.2 . . . . 71.52 111.373 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' B' ' 129' ' ' LYS . 0.5 OUTLIER -79.36 -36.81 38.76 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 119.054 -0.498 . . . . 72.33 111.785 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.412 ' HB ' HD12 ' B' ' 136' ' ' ILE . 29.9 pt -70.0 -31.51 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.847 0.749 . . . . 75.5 110.145 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.56 -45.84 71.02 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.012 0.525 . . . . 75.32 110.621 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.49 -49.87 75.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.908 0.883 . . . . 72.13 110.694 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 133' ' ' LYS . 10.5 mmpt? -79.5 -69.86 0.55 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.396 -1.274 . . . . 74.44 111.105 -177.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.425 ' HB2' HG13 ' B' ' 136' ' ' ILE . 12.2 mm-40 -91.56 -6.79 51.83 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 111.886 0.328 . . . . 75.54 111.886 -164.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.8 32.56 63.81 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.339 0.399 . . . . 63.11 112.655 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' B' ' 134' ' ' GLU . 80.2 mt -85.95 116.09 64.36 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.671 0.788 . . . . 74.2 109.849 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' B' ' 140' ' ' GLN . 37.9 Cg_endo -69.2 133.95 27.92 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.168 1.912 . . . . 74.14 111.66 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.0 Cg_endo -43.66 -38.34 9.15 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.809 3.672 . . . . 54.23 114.039 171.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.31 -37.71 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.972 -1.467 . . . . 72.32 111.985 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.514 ' HB2' ' HG2' ' B' ' 137' ' ' PRO . 21.1 mt-30 -106.09 -0.46 24.75 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.42 ' HB2' HD11 ' B' ' 169' ' ' LEU . 5.4 pp0? -85.39 145.13 27.62 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.748 -0.464 . . . . 72.23 109.748 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.33 70.72 1.44 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.008 -1.478 . . . . 74.34 107.008 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 101.21 5.95 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.036 -1.098 . . . . 75.22 108.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 24.9 t70 -100.23 149.74 23.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.861 0.864 . . . . 71.14 110.349 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.502 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 14.4 t80 -138.91 102.62 4.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.453 -1.314 . . . . 75.24 107.453 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.48 10.56 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.367 1.067 . . . . 73.1 113.199 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.3 17.59 36.38 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-O 119.809 -0.439 . . . . 74.03 113.958 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 3.8 ptpp? -141.26 123.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.39 -0.596 . . . . 74.42 109.39 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 0.0 OUTLIER -73.8 154.78 39.39 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.817 0.341 . . . . 72.45 110.856 178.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -98.71 118.86 36.39 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.777 -0.823 . . . . 73.23 108.777 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -77.8 132.09 37.89 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.42 -0.955 . . . . 73.52 108.42 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.603 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 5.5 p-10 -60.56 -29.48 69.18 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.711 0.632 . . . . 74.12 111.602 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -74.49 5.95 26.33 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.354 -0.839 . . . . 72.34 114.341 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -112.77 173.54 6.33 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 117.654 0.727 . . . . 75.43 109.71 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 9.9 m -103.81 163.27 12.45 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.255 1.022 . . . . 73.12 109.931 -173.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.56 -43.72 89.0 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.719 -0.475 . . . . 74.3 109.719 171.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.1 t -67.04 -25.72 66.41 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.983 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.94 -31.27 68.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.34 0.656 . . . . 73.32 111.607 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' B' ' 161' ' ' ILE . 89.5 m-85 -106.68 -7.27 17.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.828 0.451 . . . . 74.22 110.384 176.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 51.71 62.59 2.63 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.469 1.107 . . . . 74.23 111.104 -170.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.571 HG23 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -58.51 124.79 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.726 -0.67 . . . . 74.41 109.904 173.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -79.15 154.13 29.54 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.68 0.752 . . . . 73.41 109.849 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 16.9 ptmt -61.47 129.37 40.83 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 108.399 -0.963 . . . . 74.42 108.399 168.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 70.75 30.6 2.93 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 124.375 1.047 . . . . 74.12 110.628 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.48 ' HG ' HG22 ' B' ' 161' ' ' ILE . 28.5 m -52.12 144.96 11.25 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.746 0.418 . . . . 65.04 111.578 164.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -114.53 117.84 32.07 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.211 -0.663 . . . . 75.42 109.211 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.436 ' N ' HD13 ' B' ' 167' ' ' LEU . 0.3 OUTLIER -130.32 128.99 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.809 -1.182 . . . . 72.21 107.809 -173.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 18.9 pt -99.5 116.89 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 121.538 0.685 . . . . 72.31 109.934 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.486 HD21 HG21 ' A' ' 7' ' ' THR . 45.2 tp -82.37 99.16 9.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.261 -0.644 . . . . 75.24 109.261 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -95.41 161.91 13.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.695 1.198 . . . . 73.44 109.926 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.08 162.71 20.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.666 0.386 . . . . 73.14 111.283 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 7.7 t -44.35 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.532 1.533 . . . . 62.21 114.394 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 62.8 tp 173.98 -63.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.273 1.429 . . . . 70.42 107.702 170.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.338 -1.315 . . . . 73.2 108.885 -175.336 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.639 -0.584 . . . . 72.54 111.639 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 20.9 p -67.63 110.75 3.84 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.296 0.638 . . . . 61.44 111.186 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.74 122.29 4.75 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.49 0.716 . . . . 74.12 110.224 173.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.0 t -135.17 -36.51 0.81 Allowed 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.627 0.771 . . . . 75.31 109.836 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.33 158.92 0.16 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.149 1.379 . . . . 71.23 111.172 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 23.0 t -130.51 125.99 35.71 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.251 -1.389 . . . . 74.52 107.251 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -123.83 96.43 0.53 Allowed Glycine 0 C--N 1.344 1.008 0 O-C-N 123.454 0.471 . . . . 65.1 112.351 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 89.6 mtp -83.36 155.63 23.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.241 -1.022 . . . . 75.13 108.241 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 64.75 30.48 12.35 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.793 0.837 . . . . 73.5 110.403 -170.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 742' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 23.0 t -69.52 -12.47 61.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.094 -0.957 . . . . 63.42 112.445 -175.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -40.22 64.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.184 0.593 . . . . 62.23 110.07 168.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.8 6.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.747 -0.661 . . . . 74.15 110.899 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.578 ' HB3' ' HA ' ' C' ' 742' ' ' SER . 23.8 t70 -59.25 -54.97 40.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.501 1.121 . . . . 75.15 112.4 -171.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -44.72 -51.7 9.03 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.301 1.041 . . . . 74.44 112.13 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.95 -49.27 38.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.707 -1.133 . . . . 75.03 112.27 -168.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.66 -35.87 77.29 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.789 0.68 . . . . 73.04 110.646 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.43 -40.25 64.38 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 111.82 0.304 . . . . 71.32 111.82 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.81 -26.7 44.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.277 0.231 . . . . 73.52 110.839 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . 0.432 ' HG ' ' HE2' ' C' ' 798' ' ' TYR . 2.8 mp -65.99 -47.72 73.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.04 0.536 . . . . 73.33 109.786 169.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.75 -37.21 86.5 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.829 0.705 . . . . 72.41 109.519 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -44.93 83.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.46 0.704 . . . . 73.11 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.638 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 21.0 m-30 -59.27 -41.68 89.44 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.697 0.623 . . . . 72.24 110.023 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -68.29 -29.38 68.14 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.121 -0.945 . . . . 74.52 111.092 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 86.0 m -67.62 -38.03 83.35 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.261 0.482 . . . . 62.45 110.001 174.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.638 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 45.3 m-85 -62.64 -55.89 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.862 -0.422 . . . . 75.24 109.862 175.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.636 HD13 HD13 ' C' ' 777' ' ' LEU . 47.9 mt -64.16 -42.72 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.038 0.935 . . . . 72.4 111.296 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.48 -55.43 15.62 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.897 -0.779 . . . . 72.45 108.897 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.582 ' HB1' HD13 ' A' ' 73' ' ' LEU . . . -67.16 -26.48 66.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.771 0.669 . . . . 75.35 112.792 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.553 ' HB2' HD11 ' C' ' 765' ' ' LEU . 4.7 ppp? -75.06 -52.33 11.31 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.564 -0.902 . . . . 72.31 108.564 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.432 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 80.8 mt -68.82 -13.5 62.45 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.811 0.845 . . . . 74.21 113.013 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 50.5 m -53.96 -34.01 58.51 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.415 1.086 . . . . 71.04 110.544 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . 0.412 ' OD1' HG11 ' B' ' 108' ' ' VAL . 1.9 p30 -123.21 -38.12 2.62 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.254 1.422 . . . . 63.04 110.294 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' C' ' 761' ' ' MET . 53.5 mt -83.7 46.78 1.2 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.789 1.235 . . . . 74.42 110.838 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.664 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 0.1 OUTLIER -66.47 93.57 0.24 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.627 -0.715 . . . . 75.44 109.338 -178.028 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 767' ' ' SER . . . . . 0.401 ' O ' HD23 ' C' ' 768' ' ' LEU . 64.9 m 119.06 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 128.017 2.527 . . . . 63.33 111.132 169.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.551 HD12 ' HE2' ' C' ' 761' ' ' MET . 54.9 mt -128.35 143.85 51.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.02 0.528 . . . . 73.13 110.523 175.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 49.1 m -60.08 151.64 26.16 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.816 0.846 . . . . 71.05 111.85 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.33 -23.11 63.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 114.8 -1.091 . . . . 74.21 111.644 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.72 -51.55 65.24 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.061 0.545 . . . . 64.14 111.02 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' C' ' 768' ' ' LEU . 62.7 mtt180 -61.53 -56.65 17.66 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.913 0.885 . . . . 71.13 110.919 -176.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -38.44 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 115.457 -0.792 . . . . 71.2 111.327 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.565 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 64.9 t80 -63.07 -45.99 89.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.524 0.33 . . . . 75.3 110.205 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -41.19 92.45 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 123.694 0.621 . . . . 74.33 111.32 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 28.4 mtm -64.63 -52.44 57.41 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.534 0.521 . . . . 71.32 110.368 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.636 HD13 HD13 ' C' ' 758' ' ' ILE . 26.4 mt -53.79 -39.65 65.64 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.242 0.617 . . . . 74.34 111.195 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.16 -43.35 82.51 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.081 -0.963 . . . . 74.32 110.106 -177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -54.34 38.59 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 123.721 0.638 . . . . 73.0 110.095 171.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.19 -23.03 61.96 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.572 HG12 HG12 ' C' ' 790' ' ' ILE . 2.2 p -84.35 -33.45 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.124 0.17 . . . . 75.31 110.915 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.76 -26.14 6.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 C-N-CA 122.239 0.216 . . . . 72.42 111.462 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 14.7 p -70.01 -21.8 63.17 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 111.947 0.351 . . . . 73.25 111.947 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -122.46 179.9 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.233 -0.747 . . . . 71.41 111.233 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.95 8.02 4.29 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.822 2.348 . . . . 71.12 112.954 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -44.65 111.42 0.31 Allowed 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.121 1.768 . . . . 72.41 113.518 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 17.9 mt 60.83 9.96 2.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.294 1.038 . . . . 73.4 113.706 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 57.38 38.66 28.48 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.886 0.874 . . . . 50.13 111.094 -170.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 72.23 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.04 1.736 . . . . 74.22 111.805 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.572 HG12 HG12 ' C' ' 781' ' ' VAL . 2.7 pt -69.67 167.73 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.628 1.171 . . . . 62.42 111.438 173.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.58 166.9 17.15 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.009 -0.996 . . . . 73.44 108.468 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.36 -38.89 92.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.864 0.865 . . . . 73.31 112.138 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -36.02 82.93 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.076 0.465 . . . . 72.31 110.388 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.71 -35.68 51.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.172 -0.922 . . . . 74.44 109.813 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.565 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.76 -57.61 7.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.989 1.316 . . . . 75.24 109.374 177.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -60.93 -41.43 96.17 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.656 -1.611 . . . . 71.54 110.189 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.0 92.76 Favored Glycine 0 C--N 1.345 1.067 0 O-C-N 124.188 0.93 . . . . 73.23 113.473 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.432 ' HE2' ' HG ' ' C' ' 751' ' ' LEU . 16.9 t80 -64.09 -53.43 49.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.59 0.71 . . . . 73.22 110.117 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.431 ' O ' HG22 ' C' ' 803' ' ' VAL . 15.4 mt -64.65 -33.17 75.32 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.619 -1.173 . . . . 74.3 111.768 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . 0.509 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 10.8 tt0 -59.33 -52.85 63.88 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 124.314 1.009 . . . . 73.11 108.637 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.32 85.58 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 124.292 0.995 . . . . 54.44 110.705 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 2.5 mptp? -59.27 -43.8 92.49 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.216 0.947 . . . . 73.22 112.536 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.431 HG22 ' O ' ' C' ' 799' ' ' LEU . 72.9 t -61.1 -43.1 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 118.507 0.594 . . . . 74.55 110.382 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . 0.509 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 10.9 mpt_? -74.64 -18.13 60.59 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.3 1.04 . . . . 75.22 111.767 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.87 -6.96 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.218 1.007 . . . . 73.21 109.896 175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 66.61 14.01 9.57 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.882 1.673 . . . . 74.41 111.16 -171.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . 0.417 ' HG2' ' HZ1' ' C' ' 802' ' ' LYS . 6.1 tp-100 -80.57 -26.84 37.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.292 1.437 . . . . 73.43 111.192 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.637 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.3 OUTLIER -123.88 143.25 50.47 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.869 0.868 . . . . 74.32 110.034 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . 0.602 ' HB ' ' HG3' ' C' ' 816' ' ' ARG . 78.7 t -108.47 133.34 53.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 107.761 -1.2 . . . . 75.43 107.761 164.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -113.0 111.26 21.87 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.977 -1.12 . . . . 64.34 107.977 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -88.54 -147.53 0.16 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.181 -1.044 . . . . 75.54 108.181 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.88 77.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.974 0.806 . . . . 75.2 110.794 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.79 15.27 79.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.703 -0.68 . . . . 73.4 113.658 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 20.1 m -126.13 141.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.111 0.564 . . . . 72.51 109.722 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -96.39 143.52 27.36 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.219 0.607 . . . . 73.33 110.585 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.664 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 2.8 ptp180 -151.93 141.33 21.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.862 -1.063 . . . . 73.03 108.413 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 95.0 mt -81.08 131.0 60.71 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 108.805 -0.813 . . . . 75.33 108.805 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' C' ' 809' ' ' VAL . 8.9 Cg_endo -56.01 -37.26 96.43 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.081 2.521 . . . . 71.5 112.243 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 60.71 -162.83 0.26 Allowed 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.552 1.158 . . . . 74.43 110.646 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 46.78 -159.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.674 1.589 . . . . 74.1 113.59 172.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 93.7 m -132.52 119.27 20.33 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.033 0.933 . . . . 74.32 108.504 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 123.418 0.687 . . . . 72.52 109.265 177.065 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 110.921 -0.871 . . . . 64.31 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE1' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -148.86 158.6 44.29 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.331 -0.989 . . . . 75.14 108.331 178.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.511 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 14.4 mp0 -107.45 167.56 9.85 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.233 0.469 . . . . 73.13 111.592 -171.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.547 HG22 ' HB2' ' B' ' 165' ' ' SER . 21.5 pt -142.09 161.44 20.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 C-N-CA 123.899 0.88 . . . . 75.32 110.031 171.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 38.1 m-85 -119.11 110.51 17.15 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 124.344 1.058 . . . . 73.31 109.463 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.469 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 55.8 t -93.47 96.69 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.714 -0.847 . . . . 74.32 108.714 -174.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.32 96.41 3.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.89 0.876 . . . . 63.42 108.875 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.422 HG23 ' HB2' ' B' ' 111' ' ' LYS . 7.8 t -91.64 110.31 21.63 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.258 -0.645 . . . . 74.14 109.258 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.507 HG22 HD13 ' C' ' 765' ' ' LEU . 7.2 p -111.96 133.33 57.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.477 0.656 . . . . 62.31 110.377 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -101.71 93.78 5.51 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.204 -1.406 . . . . 73.13 107.204 169.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -104.2 103.87 13.7 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 106.401 -1.703 . . . . 75.05 106.401 167.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -161.03 139.04 9.52 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.657 0.598 . . . . 74.32 111.602 -167.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 4.0 m -85.4 124.57 32.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.774 0.829 . . . . 64.44 109.669 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 44.5 mm -95.19 141.82 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -111.09 121.89 46.49 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.255 -0.646 . . . . 74.54 109.255 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD21 HG21 ' B' ' 105' ' ' VAL . 1.2 pt? -137.53 166.85 22.9 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.77 0.828 . . . . 71.4 108.839 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.64 148.89 30.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.385 0.674 . . . . 64.41 109.57 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG11 ' HE3' ' B' ' 101' ' ' MET . 8.3 p -152.93 162.76 2.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.743 -1.117 . . . . 71.13 108.16 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.06 151.08 57.84 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 109.067 -0.716 . . . . 75.2 109.067 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.62 -23.52 76.01 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.603 2.202 . . . . 64.53 112.934 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -80.87 -12.23 59.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.307 0.643 . . . . 62.32 112.712 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.35 158.85 33.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.616 0.366 . . . . 70.24 110.687 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -88.41 165.07 15.19 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.455 0.702 . . . . 73.32 110.812 169.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 50' ' ' LEU . 34.1 mm -74.56 -26.55 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-N 115.4 -0.818 . . . . 73.13 110.179 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.79 -30.1 71.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.037 0.535 . . . . 71.23 110.399 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.453 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 37.7 t30 -57.46 -48.78 78.28 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 123.633 0.583 . . . . 73.03 109.621 171.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.26 -42.3 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 C-N-CA 123.933 0.893 . . . . 73.34 111.011 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -64.95 -33.87 77.07 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 120.961 0.41 . . . . 74.52 110.024 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.71 64.61 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.795 -0.639 . . . . 73.21 111.498 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 74.1 mmtt -64.93 -50.07 67.93 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.112 0.565 . . . . 75.45 109.873 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG22 HD11 ' A' ' 69' ' ' LEU . 2.6 pp -69.63 -32.12 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 122.316 0.246 . . . . 75.14 111.232 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -65.81 -42.84 90.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.853 0.359 . . . . 75.22 111.083 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.17 -46.35 56.74 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.489 -0.778 . . . . 74.43 111.256 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -90.8 -50.91 5.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.895 -1.048 . . . . 72.42 111.723 -170.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.637 ' HG2' HG23 ' B' ' 107' ' ' THR . 2.7 mp0 -85.97 -29.38 23.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.325 -0.25 . . . . 71.52 110.325 -176.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.95 30.91 21.99 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.088 0.242 . . . . 74.12 113.215 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 HD11 HD12 ' A' ' 69' ' ' LEU . 48.8 mt -92.64 120.13 67.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 123.415 0.686 . . . . 75.13 110.041 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.22 121.22 9.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.124 2.549 . . . . 70.24 111.962 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 19.4 Cg_endo -55.48 -32.52 82.72 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.953 3.102 . . . . 74.33 113.687 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.19 -44.13 96.26 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 124.217 0.948 . . . . 71.1 111.672 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.88 -14.58 58.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.346 0.658 . . . . 73.45 111.642 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -85.97 139.78 30.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.393 1.477 . . . . 73.12 110.762 -177.111 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -146.32 97.77 2.98 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.098 0.959 . . . . 75.14 108.864 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -77.62 129.19 35.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.223 1.009 . . . . 74.02 110.091 -178.468 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -128.87 136.57 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 N-CA-C 108.859 -0.793 . . . . 75.44 108.859 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 11.0 t80 -129.22 119.69 24.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.289 1.436 . . . . 72.14 108.24 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 18.62 7.71 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.273 0.983 . . . . 65.01 112.643 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' HA2' HD13 ' C' ' 753' ' ' LEU . . . 93.02 14.92 53.97 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.236 0.454 . . . . 64.01 114.236 -178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -125.87 130.28 51.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.765 0.826 . . . . 74.21 110.079 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -72.27 140.58 48.68 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.369 0.668 . . . . 75.31 111.484 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.495 ' HB3' HG23 ' A' ' 23' ' ' ILE . 1.8 mm? -97.82 98.01 9.47 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.241 1.016 . . . . 74.11 108.717 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -82.82 129.04 34.94 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.84 -0.8 . . . . 74.53 108.84 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -59.87 -27.46 66.7 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.982 1.313 . . . . 74.11 113.765 -165.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -2.1 81.54 Favored Glycine 0 N--CA 1.471 1.027 0 N-CA-C 114.254 0.461 . . . . 73.23 114.254 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.61 178.45 7.06 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.353 0.661 . . . . 74.11 110.565 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 19.8 m -110.54 156.94 20.2 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.873 1.269 . . . . 72.25 109.023 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 HD11 ' A' ' 23' ' ' ILE . 3.7 mm? -61.24 -40.35 93.7 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.075 0.55 . . . . 75.21 109.824 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 t -63.81 -30.92 71.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.868 0.867 . . . . 74.22 112.091 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.99 -28.08 68.76 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.261 0.625 . . . . 64.34 110.837 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -100.02 -7.42 25.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.331 0.652 . . . . 73.11 111.438 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 54.85 43.84 29.35 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.995 0.918 . . . . 73.52 110.73 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 HG13 HD12 ' A' ' 56' ' ' LEU . 5.3 mm -55.94 126.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.023 0.929 . . . . 75.03 110.953 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -94.36 178.47 5.61 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.894 0.878 . . . . 72.53 110.109 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -87.11 161.73 17.95 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 109.688 -0.486 . . . . 75.01 109.688 169.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 40.85 31.07 0.11 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.987 2.115 . . . . 74.43 113.735 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.3 m -76.86 133.3 39.36 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.225 -0.898 . . . . 53.12 110.429 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.88 110.38 22.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.567 0.699 . . . . 62.4 110.029 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.2 mp -109.69 165.02 12.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.101 1.36 . . . . 75.05 107.536 175.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.0 tt -140.55 134.24 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.479 0.657 . . . . 73.41 111.43 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.757 HD13 HG22 ' B' ' 107' ' ' THR . 45.4 mt -87.78 116.04 25.65 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.739 -1.119 . . . . 75.41 108.64 168.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.7 mt -94.33 141.71 28.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.766 -1.198 . . . . 72.55 107.766 173.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 14.8 tp -85.96 162.48 18.52 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.031 -0.729 . . . . 75.25 109.031 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -35.52 100.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.661 1.184 . . . . 72.53 113.404 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.588 HD11 ' HG3' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -74.38 -36.08 63.52 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.039 -0.982 . . . . 74.13 109.476 166.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.117 1.367 . . . . 73.2 108.898 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 110.914 -0.874 . . . . 62.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.512 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -103.77 145.0 30.73 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.848 -0.797 . . . . 73.33 108.848 173.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.1 122.73 47.48 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.303 -0.999 . . . . 74.43 108.303 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.28 160.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.186 0.595 . . . . 74.2 110.903 -170.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 45.0 m-85 -110.94 108.17 17.85 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 108.543 -0.91 . . . . 74.3 108.543 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.492 HG21 HD21 ' A' ' 15' ' ' LEU . 97.5 t -106.99 108.63 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 107.976 -1.12 . . . . 74.1 107.976 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 5.4 t0 -70.96 145.76 49.89 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.059 -0.348 . . . . 70.31 110.059 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.757 HG22 HD13 ' A' ' 69' ' ' LEU . 66.6 p -133.6 138.06 45.78 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 123.457 0.703 . . . . 74.41 110.654 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.409 HG21 ' HB2' ' C' ' 765' ' ' LEU . 6.0 p -115.4 127.18 73.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 O-C-N 124.677 1.235 . . . . 72.12 108.814 167.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -141.09 85.88 2.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.528 -0.545 . . . . 75.32 109.528 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -86.89 134.92 33.48 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.841 -0.8 . . . . 75.11 108.841 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.422 ' HB2' HG23 ' A' ' 7' ' ' THR . 99.0 mttt -141.99 153.52 44.34 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.173 1.389 . . . . 74.33 108.343 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.3 m -116.27 117.16 29.22 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.278 -0.638 . . . . 75.23 109.278 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.469 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 55.8 mt -91.39 157.99 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.369 -0.974 . . . . 71.42 108.369 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 63.9 m -137.98 125.76 22.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.631 0.772 . . . . 71.33 109.519 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.742 HD12 ' HD3' ' B' ' 129' ' ' LYS . 0.7 OUTLIER -141.71 166.77 23.82 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.248 -0.649 . . . . 74.11 109.248 173.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 29.5 tt0 -108.27 139.47 42.91 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.637 -0.875 . . . . 72.51 108.637 168.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 170.52 11.82 Favored 'Isoleucine or valine' 0 C--O 1.248 1.007 0 C-N-CA 125.483 1.513 . . . . 75.34 109.649 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -113.66 142.3 27.45 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 109.167 -0.679 . . . . 74.11 109.167 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.75 -32.02 38.32 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 123.093 2.529 . . . . 75.31 111.773 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -78.79 -16.8 56.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.264 1.026 . . . . 73.2 111.729 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 157.34 23.42 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.923 0.489 . . . . 62.13 110.653 -176.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -84.17 165.5 18.38 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.145 -0.934 . . . . 74.03 111.422 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 39.9 mm -70.51 -21.53 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.349 -0.842 . . . . 73.12 110.092 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 11.6 pt-20 -58.26 -30.89 66.93 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.848 0.459 . . . . 75.02 110.735 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -65.61 -43.67 88.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 72.22 110.866 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.5 -50.0 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.387 0.675 . . . . 72.13 110.063 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 53.3 pttt -64.81 -40.38 95.11 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 120.914 0.387 . . . . 74.32 110.887 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.13 88.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 115.556 -0.747 . . . . 73.0 110.639 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.742 ' HD3' HD12 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -71.9 -40.98 68.48 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 123.442 0.463 . . . . 73.55 111.413 -177.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.432 ' HB ' HD11 ' B' ' 136' ' ' ILE . 27.8 pt -66.3 -39.37 84.03 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 CA-C-N 118.004 0.366 . . . . 74.03 110.068 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.87 -47.02 73.18 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.585 0.354 . . . . 71.45 111.451 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.28 -52.47 53.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.093 0.957 . . . . 72.41 111.153 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -82.16 -56.75 3.74 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.761 -1.109 . . . . 73.35 110.521 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -102.89 -4.89 24.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.84 -0.618 . . . . 74.43 111.457 -160.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.4 38.19 90.94 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.569 0.543 . . . . 45.42 113.656 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.432 HD11 ' HB ' ' B' ' 130' ' ' ILE . 67.5 mt -99.43 103.0 18.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.361 1.064 . . . . 71.21 108.915 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.403 ' HB2' ' HB3' ' B' ' 140' ' ' GLN . 5.9 Cg_exo -72.94 109.82 2.9 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.871 2.38 . . . . 74.13 111.255 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.589 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.8 Cg_endo -57.2 -40.03 85.92 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.663 2.909 . . . . 62.24 114.04 -172.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.07 -39.17 75.79 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.262 -0.881 . . . . 64.41 110.747 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.403 ' HB3' ' HB2' ' B' ' 137' ' ' PRO . 0.8 OUTLIER -77.99 -11.85 59.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.858 0.863 . . . . 75.42 110.824 178.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -110.57 171.27 7.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.997 0.519 . . . . 65.32 110.126 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.674 ' HB2' ' HB2' ' B' ' 170' ' ' LEU . 11.2 mmm180 -124.76 104.45 8.65 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.428 -1.693 . . . . 72.44 106.428 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.47 99.86 3.69 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.12 -1.437 . . . . 72.43 107.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.13 118.7 37.28 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.336 0.654 . . . . 52.22 109.38 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.493 ' HB2' HD22 ' B' ' 150' ' ' LEU . 57.2 t80 -110.94 101.99 10.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.443 0.697 . . . . 75.14 109.253 -176.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.51 29.27 8.79 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.388 0.675 . . . . 71.31 112.509 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.45 60.17 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 115.078 0.791 . . . . 72.33 115.078 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -127.02 122.18 33.72 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.138 0.969 . . . . 54.41 109.799 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -76.01 147.56 38.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.569 0.348 . . . . 70.34 110.937 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' B' ' 145' ' ' PHE . 1.0 OUTLIER -91.77 124.03 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.097 0.559 . . . . 74.44 110.047 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.633 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 3.3 mp0 -79.6 133.75 36.44 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 107.288 -1.375 . . . . 75.34 107.288 167.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -58.7 -31.0 67.84 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.779 0.832 . . . . 75.05 112.83 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.02 -1.99 90.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.821 -0.627 . . . . 64.43 114.067 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.633 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 15.9 mmt85 -82.12 176.14 9.75 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 117.15 0.475 . . . . 73.12 110.116 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.4 m -105.74 162.25 13.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.918 0.887 . . . . 72.04 109.102 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.459 ' O ' HG12 ' B' ' 161' ' ' ILE . 4.1 mm? -64.49 -49.39 71.53 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 109.387 -0.597 . . . . 74.44 109.387 172.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.8 t -60.45 -24.43 65.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.28 0.632 . . . . 74.31 112.686 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.5 -38.04 58.68 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.733 0.813 . . . . 75.51 110.976 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -97.36 -10.04 26.32 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.029 -0.987 . . . . 73.3 111.791 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.77 64.58 1.27 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 122.129 0.966 . . . . 73.11 109.355 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 156' ' ' LEU . 11.7 mm -73.55 121.64 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 114.526 -1.215 . . . . 74.53 109.813 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.16 150.79 23.72 Favored 'General case' 0 C--O 1.25 1.131 0 CA-C-O 121.581 0.705 . . . . 71.52 110.122 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -62.68 129.43 40.51 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 115.887 -0.597 . . . . 65.42 109.64 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 69.51 33.1 3.2 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.476 1.11 . . . . 73.43 110.118 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.547 ' HB2' HG22 ' A' ' 3' ' ' ILE . 69.0 m -55.1 162.6 1.31 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.098 0.407 . . . . 71.22 112.098 161.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.12 133.36 46.59 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.489 0.716 . . . . 72.41 109.305 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.79 128.51 17.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.535 0.734 . . . . 74.51 110.752 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 34.3 pt -95.23 140.08 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 115.391 -0.822 . . . . 75.43 110.429 -172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.415 HD12 HD13 ' B' ' 136' ' ' ILE . 78.3 mt -86.7 115.76 24.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.912 -1.04 . . . . 63.43 109.579 170.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . 0.674 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 84.1 mt -95.33 159.56 14.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.812 -1.181 . . . . 74.54 107.812 168.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.82 170.17 16.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.254 0.479 . . . . 72.14 110.333 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 3.1 t -38.19 117.06 0.58 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.01 1.324 . . . . 74.54 112.72 171.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 36.0 tp 73.45 -61.06 0.51 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.802 1.641 . . . . 65.44 110.369 -171.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 C--O 1.248 1.018 0 C-N-CA 124.55 1.14 . . . . 73.12 109.457 -177.568 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.26 -0.336 . . . . 63.33 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 69.7 p -152.92 112.0 3.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.649 0.78 . . . . 72.14 109.261 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -82.94 131.06 35.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.668 0.387 . . . . 63.4 110.02 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 50.3 m -109.66 -8.34 14.97 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.361 1.064 . . . . 71.11 110.723 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 32.8 t70 58.87 -98.68 0.09 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.515 1.126 . . . . 54.42 110.043 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 57.2 p 170.0 -54.57 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.06 1.344 . . . . 72.42 108.641 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.05 75.21 0.83 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 114.708 -1.133 . . . . 75.23 111.018 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 20.9 ptm -64.79 124.18 21.3 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.063 0.764 . . . . 71.04 113.063 -167.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -134.77 -14.63 2.13 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.97 1.308 . . . . 65.31 110.731 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 8.6 t 66.6 17.21 10.58 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 125.675 1.59 . . . . 65.33 112.608 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.26 -53.53 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.426 0.69 . . . . 74.03 111.976 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.02 -15.31 61.09 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.536 0.734 . . . . 72.22 111.98 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.5 -63.13 1.2 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.298 1.439 . . . . 72.43 111.028 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -51.68 -39.07 57.6 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.895 1.372 . . . . 74.34 111.622 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 41.1 mtpt -68.46 -63.08 1.13 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.476 0.71 . . . . 73.2 111.035 -173.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.64 -42.7 97.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.22 -0.9 . . . . 73.21 111.17 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.52 -41.71 96.22 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.043 0.839 . . . . 74.21 110.126 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -57.79 -51.45 69.54 Favored 'General case' 0 C--N 1.368 1.413 0 O-C-N 123.59 0.556 . . . . 75.31 110.942 173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 67.9 mt -60.52 -40.78 92.7 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.739 0.649 . . . . 64.42 110.976 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.63 -36.54 78.75 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.992 -1.004 . . . . 72.41 109.346 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . 0.409 HD13 ' HA2' ' A' ' 47' ' ' GLY . 2.1 tm? -76.09 -36.78 58.79 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.122 0.969 . . . . 75.23 110.417 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.51 -43.01 99.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.122 0.969 . . . . 74.13 108.71 172.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -67.46 -33.39 75.04 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.28 -1.327 . . . . 75.14 110.958 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -64.24 -36.35 83.79 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.89 0.476 . . . . 74.45 109.817 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -61.06 -61.42 2.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.782 0.433 . . . . 73.22 111.057 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.23 -31.63 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 72.23 111.575 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -74.15 -49.71 22.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.674 0.79 . . . . 73.12 109.503 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.584 ' HB3' HD22 ' A' ' 73' ' ' LEU . . . -67.55 -27.56 67.06 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 71.24 112.639 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.607 ' HE3' ' SD ' ' C' ' 776' ' ' MET . 20.0 ptm -78.84 -59.53 2.74 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.264 -1.013 . . . . 71.22 108.264 172.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.85 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 16.4 mt -64.19 -16.3 61.66 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.096 1.147 . . . . 74.32 114.096 -172.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 763' ' ' THR . . . . . 0.539 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.1 t -68.11 -17.99 64.52 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.25 0.548 . . . . 75.15 111.848 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . 0.481 HD21 HG22 ' C' ' 763' ' ' THR . 4.2 p30 -133.51 -44.83 0.82 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.99 0.916 . . . . 64.3 109.736 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.507 HD13 HG22 ' A' ' 8' ' ' VAL . 11.4 tp -80.18 57.15 2.64 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 126.675 1.99 . . . . 75.4 108.59 175.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -85.49 48.87 1.65 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.489 1.516 . . . . 75.11 112.612 -168.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 67.6 m -167.93 83.14 0.19 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.617 1.167 . . . . 72.25 108.827 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.5 HD13 HD23 ' C' ' 765' ' ' LEU . 90.1 mt -132.05 141.49 49.23 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.641 0.608 . . . . 73.11 112.641 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.3 m -78.18 147.46 34.49 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 115.528 -0.76 . . . . 72.42 109.164 166.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.41 HD13 HD13 ' C' ' 795' ' ' LEU . 20.4 tp -60.96 -31.42 70.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.919 0.888 . . . . 71.22 111.153 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.32 -52.55 61.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.87 0.868 . . . . 74.1 110.715 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -52.11 -56.66 13.09 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.367 1.042 . . . . 75.31 111.157 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.501 HD12 HD23 ' C' ' 799' ' ' LEU . 2.3 pp -75.55 -25.35 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.044 -0.98 . . . . 71.24 111.446 -171.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.554 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 37.4 t80 -62.95 -52.22 63.86 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.297 -0.631 . . . . 74.35 109.297 170.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.35 -38.28 86.39 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 124.023 0.827 . . . . 75.41 111.328 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.607 ' SD ' ' HE3' ' C' ' 761' ' ' MET . 81.0 mtp -63.78 -56.0 18.86 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.842 0.457 . . . . 74.42 110.61 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.73 -29.47 66.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.05 0.54 . . . . 74.53 111.671 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.66 -43.51 80.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.108 0.963 . . . . 73.54 109.696 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tpt -58.3 -51.2 70.8 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.619 0.768 . . . . 65.13 110.747 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -70.61 -29.35 65.72 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.639 0.375 . . . . 74.21 111.85 -173.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.605 HG12 HG12 ' C' ' 790' ' ' ILE . 5.7 p -80.53 -32.81 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-O 119.621 -0.228 . . . . 75.11 110.527 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.32 -30.81 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 118.191 0.45 . . . . 73.34 110.676 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 22.5 p -77.26 -20.25 55.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.49 0.316 . . . . 75.42 111.796 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -124.05 97.35 0.55 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.469 -1.053 . . . . 54.43 110.469 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 8.28 0.22 Allowed 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.588 2.859 . . . . 73.22 115.378 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.7 65.03 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.938 1.295 . . . . 73.33 112.514 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.44 6.25 34.79 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 74.02 111.901 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.24 -77.24 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.069 . . . . 60.3 111.715 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.61 112.31 1.43 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.293 0.637 . . . . 75.45 109.486 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG12 ' C' ' 781' ' ' VAL . 11.8 pt -70.83 161.08 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.984 -0.448 . . . . 75.43 109.861 172.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . 0.44 ' HB3' HE21 ' C' ' 793' ' ' GLN . 15.8 t70 -126.96 171.9 10.92 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.567 0.747 . . . . 63.11 109.013 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.37 -38.46 71.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.832 0.853 . . . . 74.43 111.938 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.8 pp0? -69.36 -33.01 72.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.012 0.525 . . . . 75.14 111.71 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -77.77 -37.89 47.97 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.648 0.779 . . . . 75.11 109.922 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.554 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -71.35 -50.65 30.13 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.585 1.154 . . . . 70.54 109.394 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -58.34 -40.35 81.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.592 1.157 . . . . 72.32 110.402 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -56.44 -43.73 90.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.25 0.969 . . . . 62.03 113.07 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -62.38 -46.72 87.34 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.366 0.666 . . . . 73.02 110.598 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.501 HD23 HD12 ' C' ' 773' ' ' ILE . 3.9 mm? -65.75 -47.47 75.12 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.523 -0.762 . . . . 75.0 112.461 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.89 74.83 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.717 -0.475 . . . . 75.33 109.717 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -56.15 -61.71 2.21 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 123.879 0.737 . . . . 75.01 109.737 167.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.433 ' HD2' ' HG2' ' C' ' 807' ' ' GLN . 74.9 mmtt -55.42 -38.2 68.64 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.286 0.847 . . . . 73.34 113.286 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.61 -47.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 109.717 -0.475 . . . . 75.05 109.717 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.35 -8.92 58.99 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.927 -0.579 . . . . 74.21 112.419 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.55 -2.75 55.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.023 0.929 . . . . 73.22 111.327 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.28 13.68 9.46 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 125.583 1.553 . . . . 75.33 111.9 -175.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . 0.433 ' HG2' ' HD2' ' C' ' 802' ' ' LYS . 6.2 tp-100 -83.26 -25.91 31.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.803 1.241 . . . . 73.34 110.59 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.77 142.13 51.09 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.95 0.9 . . . . 74.12 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.64 139.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.227 1.011 . . . . 75.34 109.19 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.96 114.61 27.16 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 124.738 1.215 . . . . 75.24 108.987 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 36.3 t -91.78 -145.41 0.2 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.27 -1.011 . . . . 74.54 108.27 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.08 76.5 0.94 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.548 0.613 . . . . 73.14 110.897 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.21 14.5 81.83 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 115.482 -0.781 . . . . 71.21 113.667 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.0 146.56 31.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 122.909 0.484 . . . . 73.04 110.48 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -100.52 149.65 23.48 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 123.736 0.814 . . . . 74.4 110.82 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.565 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.0 OUTLIER -156.75 135.91 11.99 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.353 -0.84 . . . . 75.1 108.783 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.85 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 9.0 tp -73.99 118.77 72.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-O 118.879 -0.582 . . . . 72.53 110.022 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.82 -53.78 2.94 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.699 2.266 . . . . 72.05 111.01 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' C' ' 763' ' ' THR . 59.1 mtpt 73.21 -52.55 0.7 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.809 1.643 . . . . 73.23 111.248 -177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -67.78 121.79 16.73 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.052 0.541 . . . . 62.02 109.735 165.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.74 87.62 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.364 0.665 . . . . 74.25 109.518 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.247 0.933 0 N-CA-C 108.309 -0.997 . . . . 74.53 108.309 -176.633 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.132 -0.387 . . . . 73.41 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HE2' HG13 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -118.78 153.08 35.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.433 0.693 . . . . 73.31 109.215 -175.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -110.95 126.32 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.301 -1.0 . . . . 74.54 108.301 -173.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -118.45 157.2 20.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 121.559 0.695 . . . . 74.25 110.129 -170.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.2 m-85 -105.76 118.49 36.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.598 -1.183 . . . . 75.44 108.51 177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.5 t -100.31 91.65 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.81 -1.552 . . . . 75.42 106.81 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 112' ' ' THR . 23.0 t0 -93.9 102.64 14.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.486 -1.234 . . . . 71.15 109.11 -174.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -90.26 133.84 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.856 0.36 . . . . 73.11 110.575 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -92.99 131.12 40.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 108.754 -0.832 . . . . 73.3 108.754 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.79 111.47 8.71 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.06 -1.829 . . . . 71.15 106.06 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.622 ' HE1' HG22 ' B' ' 108' ' ' VAL . 0.0 OUTLIER -81.15 104.19 11.46 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.62 -1.252 . . . . 74.15 107.62 177.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -106.8 109.02 20.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.988 0.915 . . . . 72.44 110.142 -168.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -78.13 113.79 16.4 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 109.515 -0.55 . . . . 72.13 109.515 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 41.3 mm -94.47 145.9 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 124.193 0.997 . . . . 71.42 109.747 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.1 m -108.97 128.23 54.76 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.051 -0.722 . . . . 70.31 109.051 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.649 HD13 HG13 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -147.84 147.46 29.82 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.558 0.743 . . . . 73.45 109.706 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 40.3 tt0 -92.05 147.33 23.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.952 0.406 . . . . 65.34 110.05 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' HE2' ' B' ' 101' ' ' MET . 9.2 p -150.28 170.81 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 125.543 1.537 . . . . 74.11 107.791 176.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -127.11 149.81 70.45 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.574 -0.704 . . . . 62.04 110.397 -174.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.96 -23.72 46.63 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.237 1.958 . . . . 73.11 112.924 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 m -77.28 -21.41 53.66 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.821 0.7 . . . . 73.41 112.359 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.52 158.21 15.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.761 0.255 . . . . 73.12 110.899 -172.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -78.02 162.72 26.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 63.12 111.399 176.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.586 HG21 ' HB3' ' A' ' 50' ' ' LEU . 32.7 mm -59.55 -26.7 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.193 0.997 . . . . 75.55 110.87 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.87 -22.23 47.09 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.234 -0.894 . . . . 65.22 112.234 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.39 -50.77 50.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.69 0.796 . . . . 74.4 110.781 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.82 -48.27 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.614 -0.884 . . . . 74.31 108.614 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.71 -54.89 16.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.703 -1.589 . . . . 74.23 111.557 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.89 74.07 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.269 -0.878 . . . . 64.52 111.675 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' HD22 ' A' ' 15' ' ' LEU . 16.6 ptpt -76.71 -39.99 50.17 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 123.351 0.407 . . . . 75.35 111.601 -176.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.555 ' HB ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -67.68 -37.87 79.39 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 109.403 -0.591 . . . . 75.3 109.403 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -63.43 -47.1 83.33 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.879 -1.055 . . . . 71.44 111.239 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.93 -51.33 33.8 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.826 0.85 . . . . 74.2 110.933 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -77.37 -36.91 53.13 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.01 -0.995 . . . . 74.22 112.567 -171.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.51 -0.98 8.61 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.836 1.05 . . . . 72.43 113.836 -173.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.09 28.69 72.66 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 121.777 -0.249 . . . . 74.12 113.165 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.555 HD12 ' HB ' ' A' ' 30' ' ' ILE . 46.2 mt -80.44 111.71 25.01 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 108.722 -0.844 . . . . 71.52 108.722 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.75 104.2 1.83 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.04 2.493 . . . . 73.41 112.676 -170.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.78 -31.47 20.37 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.611 2.207 . . . . 71.15 114.235 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.53 -24.09 67.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.069 0.548 . . . . 63.52 110.176 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.507 HE21 HD11 ' A' ' 71' ' ' LEU . 23.0 tt0 -109.33 0.02 19.31 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.2 1.0 . . . . 74.24 111.176 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.509 HE21 ' HB3' ' A' ' 69' ' ' LEU . 11.4 mm100 -118.97 106.83 12.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.113 0.965 . . . . 75.14 109.748 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HG3' ' HB2' ' A' ' 70' ' ' LEU . 13.8 ptm180 -80.07 105.46 11.36 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.269 0.557 . . . . 75.42 109.637 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.613 ' HB3' HD23 ' A' ' 67' ' ' LEU . 3.8 mp -79.99 138.06 36.97 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.139 -0.689 . . . . 71.41 109.139 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -138.26 146.93 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 108.966 -0.753 . . . . 74.35 108.966 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.81 97.95 4.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.848 1.259 . . . . 74.02 108.575 -177.12 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.06 30.99 17.26 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.526 0.73 . . . . 72.12 112.244 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.44 17.01 40.9 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 114.798 -1.092 . . . . 63.3 114.568 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -119.0 112.87 20.12 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 117.759 0.779 . . . . 74.14 109.288 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -70.68 133.87 47.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.069 0.548 . . . . 74.1 110.077 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 mt -94.26 117.36 30.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.172 0.589 . . . . 63.31 111.45 -171.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -104.55 129.3 52.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.391 1.076 . . . . 74.1 108.739 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 39.9 m-20 -56.53 -36.3 69.07 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.521 1.129 . . . . 75.44 113.772 -168.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.35 -14.69 77.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 123.57 0.544 . . . . 75.24 113.751 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' HG12 ' A' ' 23' ' ' ILE . 37.0 ttm180 -92.99 165.4 12.88 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.218 1.007 . . . . 73.32 108.393 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 10.0 m -103.77 157.69 16.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.916 0.486 . . . . 73.03 111.566 -167.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.562 HD23 HD11 ' A' ' 23' ' ' ILE . 4.0 mm? -61.49 -45.82 92.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.412 1.085 . . . . 75.5 110.582 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 t -68.04 -24.07 65.04 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.517 0.562 . . . . 75.42 112.517 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.61 -31.99 71.13 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.002 0.521 . . . . 71.4 111.016 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.579 ' HH ' ' HA ' ' A' ' 50' ' ' LEU . 95.6 m-85 -97.36 -10.74 25.0 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.765 0.426 . . . . 75.13 110.626 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 60.43 64.27 1.23 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.397 1.079 . . . . 74.03 110.133 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.9 mp -68.49 101.19 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 108.405 -0.961 . . . . 73.21 108.405 169.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.1 166.91 21.03 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.685 -1.143 . . . . 74.44 109.606 168.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -73.66 150.24 41.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.94 0.496 . . . . 63.13 110.651 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 55.0 24.07 5.64 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.069 2.148 . . . . 75.45 113.209 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 t -78.65 152.22 31.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.092 0.557 . . . . 74.33 110.246 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.7 106.91 17.56 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.573 0.701 . . . . 70.11 111.968 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 43' ' ' LEU . 3.7 tt -90.17 149.18 22.54 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.856 -1.535 . . . . 75.24 106.856 169.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.448 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.0 tt -135.8 128.3 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.092 0.557 . . . . 63.24 109.808 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HB3' HE21 ' A' ' 41' ' ' GLN . 6.1 mp -97.48 113.58 25.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.949 0.9 . . . . 72.43 108.961 176.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . 2.2 mm? -95.59 141.0 29.61 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.8 -1.555 . . . . 75.31 106.8 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.507 HD11 HE21 ' A' ' 40' ' ' GLN . 30.9 tp -73.49 167.42 21.34 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.447 0.567 . . . . 73.4 109.597 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -51.11 97.67 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.097 0.959 . . . . 74.5 110.684 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.65 -68.99 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 113.63 -1.623 . . . . 73.54 108.372 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.551 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.3 mmp_? . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.048 1.339 . . . . 75.15 108.113 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.923 -0.471 . . . . 54.54 111.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.472 ' HE2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -104.54 142.91 33.79 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.144 0.577 . . . . 65.41 109.695 178.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -114.74 122.98 48.08 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.117 -0.697 . . . . 74.41 109.117 -174.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.412 HG23 HG21 ' A' ' 61' ' ' ILE . 27.7 pt -119.21 179.02 2.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 124.537 1.135 . . . . 71.53 110.409 -169.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 39.7 m-85 -116.68 117.78 30.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.113 -0.949 . . . . 72.25 109.528 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.649 HG13 HD13 ' A' ' 15' ' ' LEU . 35.1 m -107.91 107.58 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 108.744 -0.836 . . . . 71.4 108.744 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.79 117.44 17.54 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.1 t -117.06 147.3 42.49 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.148 0.979 . . . . 75.03 109.699 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.622 HG22 ' HE1' ' A' ' 10' ' ' TRP . 21.2 t -89.1 107.12 17.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 107.593 -1.262 . . . . 74.1 107.593 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.0 140.87 35.71 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.464 -0.939 . . . . 44.45 108.464 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -125.46 143.33 51.04 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.863 0.865 . . . . 74.13 109.032 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.52 103.06 7.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.994 -1.113 . . . . 75.14 107.994 169.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 6.7 m -84.24 112.46 20.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.576 -0.527 . . . . 74.21 109.576 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 49.9 mt -90.46 154.12 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.329 -1.36 . . . . 75.33 107.329 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 61.9 m -137.08 111.28 8.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 75.34 108.316 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.46 163.75 22.66 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.06 -0.719 . . . . 74.22 109.06 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.0 tt0 -106.16 140.18 39.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.068 -1.086 . . . . 75.02 108.068 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.464 HG13 ' HE2' ' A' ' 1' ' ' MET . 11.0 p -144.51 160.98 14.74 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 123.62 0.768 . . . . 73.12 109.221 -174.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 74.9 mm-40 -103.15 141.61 22.84 Favored Pre-proline 0 N--CA 1.468 0.466 0 C-N-CA 123.217 0.607 . . . . 63.03 110.196 -176.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.93 -27.53 50.81 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.69 2.26 . . . . 75.1 111.701 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 54.9 p -81.38 -17.6 48.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.275 1.03 . . . . 65.24 112.158 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.576 ' HB2' ' HB2' ' B' ' 118' ' ' GLU . 5.2 t70 -85.06 158.68 20.38 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.804 -0.813 . . . . 73.21 108.804 -174.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -85.45 163.56 18.4 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.395 0.678 . . . . 72.34 111.973 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.626 HG21 ' HB3' ' B' ' 150' ' ' LEU . 29.1 mm -66.54 -18.36 24.01 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 C-N-CA 124.866 1.267 . . . . 73.53 110.663 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 9.8 pt-20 -56.9 -25.09 56.4 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.453 -0.794 . . . . 65.13 110.576 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 10.3 t-20 -54.99 -58.46 7.53 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.673 1.189 . . . . 71.51 109.957 170.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.49 -44.34 98.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 124.543 1.137 . . . . 75.11 111.124 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' B' ' 124' ' ' GLU . 59.4 pttt -65.27 -38.7 91.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 116.013 -0.54 . . . . 74.01 109.905 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.51 61.86 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 116.075 -0.511 . . . . 72.44 110.555 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.6 mmtt -67.42 -59.88 3.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 109.253 -0.647 . . . . 74.13 109.253 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 19.7 pt -58.73 -36.78 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 123.252 0.345 . . . . 74.25 111.476 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -68.96 -40.09 79.09 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.637 0.775 . . . . 73.33 112.063 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -70.21 -50.4 40.34 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.692 0.758 . . . . 72.22 110.619 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.424 ' HZ1' ' HB3' ' B' ' 133' ' ' LYS . 2.8 mmmp? -79.95 -50.61 10.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.781 -1.554 . . . . 75.01 111.609 -165.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.546 ' HG3' HG13 ' B' ' 136' ' ' ILE . 12.6 pt-20 -125.93 5.2 7.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 113.326 0.862 . . . . 72.42 113.326 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.65 63.84 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 114.776 0.67 . . . . 65.04 114.776 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.546 HG13 ' HG3' ' B' ' 134' ' ' GLU . 58.8 mt -78.84 112.05 24.32 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.423 -0.954 . . . . 70.44 108.423 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.436 ' HD2' HE21 ' B' ' 140' ' ' GLN . 11.6 Cg_exo -67.12 135.46 37.4 Favored 'Trans proline' 0 CA--C 1.564 1.998 0 C-N-CA 122.571 2.181 . . . . 74.24 111.194 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.9 -51.54 2.88 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 124.055 3.17 . . . . 70.24 115.069 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.11 -27.93 66.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.301 0.64 . . . . 74.22 110.008 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.436 HE21 ' HD2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -85.46 12.82 7.67 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.96 1.304 . . . . 70.25 110.635 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.445 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -138.63 146.69 42.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.218 -0.66 . . . . 75.14 109.218 167.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -119.59 106.17 11.92 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.669 -0.863 . . . . 73.41 108.669 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.445 ' HB2' HE22 ' B' ' 141' ' ' GLN . 57.5 tp -82.66 130.67 35.16 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.373 0.669 . . . . 74.24 109.784 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . 0.554 ' HB3' HG21 ' B' ' 168' ' ' ILE . 10.7 t70 -118.99 145.0 46.19 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.782 1.233 . . . . 74.11 108.751 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.473 ' HB2' HD22 ' B' ' 150' ' ' LEU . 25.0 t80 -139.17 102.36 4.49 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.389 -0.967 . . . . 53.32 108.389 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.77 24.49 4.43 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.333 1.053 . . . . 72.34 113.062 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.39 32.26 7.47 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 120.04 -0.311 . . . . 63.23 113.805 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -122.32 131.4 53.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.675 0.79 . . . . 75.31 109.132 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.12 112.19 18.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.306 -1.368 . . . . 74.33 107.306 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.626 ' HB3' HG21 ' B' ' 123' ' ' ILE . 3.0 mm? -73.08 89.47 1.48 Allowed 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.199 -0.667 . . . . 74.43 109.199 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.35 119.7 9.58 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.962 -1.017 . . . . 74.44 108.547 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.559 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.4 p-10 -63.6 -20.76 65.92 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.86 0.864 . . . . 74.31 112.512 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -87.04 -4.28 81.95 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 115.693 -0.685 . . . . 54.0 113.841 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.48 167.84 10.91 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.598 -0.89 . . . . 74.12 108.598 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 92.3 m -100.91 156.92 17.11 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.229 1.012 . . . . 74.32 109.901 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.512 HD23 HD13 ' B' ' 123' ' ' ILE . 3.6 mm? -56.9 -40.61 76.58 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.783 0.833 . . . . 74.24 109.923 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.413 ' H ' HG22 ' B' ' 155' ' ' THR . 42.8 t -60.26 -32.08 70.83 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.308 0.855 . . . . 75.41 113.308 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.78 -28.27 65.79 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.519 0.599 . . . . 75.42 111.331 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -106.43 1.32 25.52 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.777 0.831 . . . . 75.35 110.68 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 65.9 t30 48.88 51.91 15.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.967 1.307 . . . . 62.44 111.007 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.09 119.95 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 114.568 -1.196 . . . . 75.34 109.661 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.38 171.0 7.85 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-O 121.715 0.769 . . . . 64.44 110.716 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.6 139.58 58.45 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.548 -0.751 . . . . 75.02 109.653 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 63.91 23.49 13.37 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 113.649 -1.614 . . . . 74.13 112.353 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.4 m -62.47 117.12 5.76 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-N 118.527 0.603 . . . . 71.22 110.114 166.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.39 109.1 21.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.448 0.699 . . . . 63.03 109.497 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.414 HD11 ' N ' ' B' ' 167' ' ' LEU . 1.3 mp -101.93 138.95 38.22 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.399 1.08 . . . . 71.32 108.194 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' B' ' 144' ' ' ASP . 4.9 tt -95.38 111.75 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.271 0.558 . . . . 72.3 109.675 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 10.1 tt -89.86 125.03 35.19 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.657 -0.497 . . . . 73.34 109.657 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 160.09 15.36 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.935 0.894 . . . . 72.22 109.069 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.85 178.17 3.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.931 . . . . 64.33 110.816 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 10.9 t -40.88 134.75 1.86 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.393 1.077 . . . . 74.33 112.917 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 58.92 174.68 0.07 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.291 1.036 . . . . 73.53 111.278 -168.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.532 ' HB2' HG13 ' C' ' 814' ' ' VAL . 70.1 mtt180 . . . . . 0 C--O 1.247 0.957 0 N-CA-C 107.331 -1.359 . . . . 70.43 107.331 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 CA-C-O 119.68 -0.511 . . . . 62.33 112.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 49.5 m -78.51 152.38 32.03 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.051 0.54 . . . . 71.42 110.174 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.83 -178.97 5.19 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 70.33 110.345 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 25.6 p -148.64 -32.87 0.23 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.262 1.025 . . . . 71.23 108.91 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.07 84.9 3.57 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.004 -0.739 . . . . 73.32 109.004 171.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 32.8 p -86.03 111.81 20.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.519 0.728 . . . . 73.33 109.095 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -90.47 -167.14 41.6 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 112.346 -0.301 . . . . 63.24 112.346 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 740' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' C' ' 744' ' ' ALA . 2.7 mmm -76.04 156.8 33.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.488 0.715 . . . . 75.01 111.024 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -85.17 40.01 0.8 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.177 0.991 . . . . 65.21 112.052 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 30.5 t -151.62 -87.52 0.07 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 122.318 0.247 . . . . 75.12 110.789 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -69.8 -36.63 75.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.337 0.655 . . . . 74.2 110.341 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' C' ' 740' ' ' MET . . . -67.41 -29.66 69.22 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.973 0.796 . . . . 72.12 111.087 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.84 -46.9 82.96 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.21 0.944 . . . . 75.45 110.745 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -60.34 -56.21 24.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.261 -0.881 . . . . 73.51 110.9 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.466 ' HA ' HD21 ' C' ' 787' ' ' LEU . 13.2 ptpt -66.21 -39.28 89.5 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 114.609 -1.178 . . . . 74.24 111.904 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -53.16 -50.91 63.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.493 0.717 . . . . 72.41 111.001 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.9 -43.84 82.36 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.455 0.702 . . . . 75.21 111.86 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -49.16 78.69 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.894 0.746 . . . . 63.1 110.6 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.47 -42.6 96.57 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.691 1.196 . . . . 74.15 110.989 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -71.2 -34.66 71.08 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 123.764 0.665 . . . . 73.24 109.238 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -43.36 85.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.633 0.773 . . . . 73.01 109.732 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -65.59 -33.79 76.74 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 114.971 -1.013 . . . . 74.12 110.37 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -76.3 -31.08 58.02 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.038 -0.528 . . . . 72.21 110.402 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 92.0 m -69.22 -31.72 70.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.127 -0.694 . . . . 54.34 109.127 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' C' ' 761' ' ' MET . 14.0 m-85 -63.82 -64.8 0.79 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.71 0.804 . . . . 74.12 110.427 170.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 73.9 mt -57.36 -44.69 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.636 0.774 . . . . 73.42 111.424 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.38 -51.72 58.5 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.238 0.615 . . . . 71.12 109.742 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -71.32 -26.19 62.74 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.886 0.741 . . . . 75.53 112.451 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' C' ' 757' ' ' TYR . 26.7 ptm -80.34 -35.98 34.79 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 110.212 -0.292 . . . . 63.44 110.212 172.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.4 -11.74 60.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.267 0.627 . . . . 75.13 110.892 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 93.1 m -66.26 -17.73 64.92 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.486 0.714 . . . . 70.22 110.447 170.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . 0.6 ' HB2' HD13 ' C' ' 765' ' ' LEU . 7.2 m120 -118.24 -55.42 2.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.537 1.135 . . . . 65.13 109.259 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' C' ' 764' ' ' ASN . 4.3 mp -91.65 61.96 4.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.15 1.38 . . . . 75.34 107.542 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.433 ' HG3' HH12 ' C' ' 816' ' ' ARG . 8.2 pt-20 -68.19 17.07 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.361 1.985 . . . . 75.13 116.361 -165.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 68.3 m -158.86 88.84 0.92 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.936 0.895 . . . . 73.33 109.588 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.08 147.45 52.44 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.075 0.55 . . . . 74.54 111.182 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 769' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 34.8 t -65.42 162.27 18.13 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.25 1.02 . . . . 75.02 110.814 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.98 -31.48 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.466 -0.938 . . . . 74.04 108.466 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -46.56 -54.7 8.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.741 1.216 . . . . 75.23 112.842 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' C' ' 776' ' ' MET . 3.2 mpt_? -60.77 -58.46 8.38 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.673 0.608 . . . . 74.51 109.896 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.09 -23.08 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 CA-C-N 114.292 -1.322 . . . . 75.13 111.948 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.638 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 54.9 t80 -67.34 -51.59 50.46 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 109.054 -0.721 . . . . 75.43 109.054 171.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -62.23 -34.47 76.56 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.063 0.852 . . . . 71.22 110.544 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 82.1 mmm -60.74 -61.71 2.39 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.999 0.812 . . . . 75.15 109.579 172.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.82 -34.79 65.68 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.209 -0.905 . . . . 74.24 112.846 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.415 ' HA ' HG11 ' C' ' 781' ' ' VAL . 14.4 tpt180 -69.28 -47.76 63.65 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.185 0.928 . . . . 62.14 108.836 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -53.8 17.36 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.051 0.844 . . . . 74.42 110.24 171.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -72.35 -26.22 61.84 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.509 0.559 . . . . 64.2 112.509 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' C' ' 778' ' ' ARG . 2.5 p -85.66 -25.61 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 117.782 0.264 . . . . 74.01 111.024 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 19.7 m -90.61 -24.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 N-CA-C 112.123 0.416 . . . . 74.33 112.123 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.9 p -68.3 -19.35 64.68 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 120.763 0.316 . . . . 62.51 111.774 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.83 173.44 18.29 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.405 -0.816 . . . . 52.11 111.284 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.32 5.81 6.02 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 122.676 2.251 . . . . 74.03 111.545 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -43.0 114.2 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.551 1.94 . . . . 75.03 112.168 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' C' ' 747' ' ' LYS . 68.7 mt 66.38 9.23 6.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.669 1.187 . . . . 72.51 113.164 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.81 32.47 19.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.191 0.996 . . . . 51.12 111.165 -172.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 70.54 130.2 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.886 1.674 . . . . 75.14 111.62 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.414 HG12 HG23 ' C' ' 781' ' ' VAL . 4.3 pt -92.44 170.94 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.658 1.183 . . . . 75.34 111.373 175.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -124.14 172.8 8.75 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.44 1.096 . . . . 71.53 109.492 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.05 -37.53 69.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.941 1.297 . . . . 73.21 111.903 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.12 -43.92 98.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.26 0.624 . . . . 73.53 110.966 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -69.29 -41.54 76.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.684 0.794 . . . . 75.04 110.052 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.638 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.12 -62.5 1.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.751 -1.113 . . . . 74.45 109.845 -179.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -60.59 -30.52 69.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.67 0.788 . . . . 75.52 110.94 -177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -67.57 -37.7 89.8 Favored Glycine 0 C--N 1.356 1.652 0 O-C-N 124.0 0.812 . . . . 63.15 112.532 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.61 -47.67 80.47 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 123.593 0.757 . . . . 64.02 109.988 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.19 -40.05 94.76 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 115.253 -0.885 . . . . 73.01 110.887 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.6 OUTLIER -57.47 -53.0 63.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.224 0.952 . . . . 72.51 110.334 179.11 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -50.06 -51.12 44.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.011 0.925 . . . . 72.35 110.743 172.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 1.9 mptp? -59.83 -33.32 71.61 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.628 0.58 . . . . 75.4 112.301 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.82 -43.29 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.748 0.419 . . . . 74.34 110.1 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 8.2 mmm180 -71.54 -24.42 61.94 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.903 0.481 . . . . 74.02 111.537 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.98 -4.4 59.13 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.658 1.183 . . . . 73.34 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.5 11.71 6.81 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 125.641 1.576 . . . . 75.34 111.49 -170.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.82 -28.96 60.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.346 1.058 . . . . 73.01 110.501 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 9.3 mt -135.78 142.23 44.89 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.837 1.255 . . . . 75.25 109.6 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.9 t -105.32 129.01 58.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 125.569 1.547 . . . . 65.2 108.26 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -93.09 108.68 20.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.093 -1.077 . . . . 74.05 108.093 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.505 ' HB3' HG23 ' C' ' 814' ' ' VAL . 47.0 t -88.29 -149.52 0.17 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.896 -1.15 . . . . 72.31 107.896 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.52 77.33 0.57 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.942 0.792 . . . . 75.25 110.695 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.03 21.04 76.79 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-N 115.597 -0.729 . . . . 73.2 113.548 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' B' ' 174' ' ' ARG . 4.6 m -131.62 159.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 123.245 0.618 . . . . 73.35 109.973 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . 0.455 ' HB3' HD22 ' C' ' 808' ' ' LEU . 67.9 m-85 -108.9 136.72 47.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.31 1.044 . . . . 74.33 110.928 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.433 HH12 ' HG3' ' C' ' 766' ' ' GLU . 17.5 ttt85 -136.88 135.82 38.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.205 1.002 . . . . 74.23 110.014 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.53 128.79 71.2 Favored Pre-proline 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 73.01 110.148 173.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.04 92.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.366 2.044 . . . . 72.13 110.046 159.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 141.11 58.64 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.635 0.731 . . . . 65.53 111.176 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -102.69 -16.03 16.14 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.716 0.806 . . . . 74.23 110.482 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.59 -51.41 69.94 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 123.915 0.76 . . . . 73.3 110.781 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.158 -0.925 . . . . 54.33 108.784 176.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 110.99 -0.844 . . . . 64.15 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HE2' HG11 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -155.14 151.08 27.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.697 0.799 . . . . 75.43 109.653 178.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.408 HE22 ' HG2' ' B' ' 116' ' ' GLU . 7.2 mm-40 -85.93 150.71 24.31 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.088 -1.079 . . . . 73.42 108.088 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.28 158.7 43.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 CA-C-O 121.114 0.483 . . . . 74.44 110.513 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.81 105.41 11.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.924 -1.035 . . . . 74.35 108.903 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 95.0 t -88.76 95.24 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 108.397 -0.964 . . . . 75.05 108.397 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' HB3' ' CH2' ' B' ' 110' ' ' TRP . 18.1 m-20 -76.71 100.74 5.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.212 1.405 . . . . 72.12 111.698 -172.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.569 ' HG1' ' HG3' ' B' ' 111' ' ' LYS . 0.7 OUTLIER -101.12 119.56 38.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.58 1.152 . . . . 74.25 109.757 -174.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.54 136.85 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.479 0.711 . . . . 74.1 109.58 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 44.7 mt-30 -122.77 82.04 1.94 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.858 0.463 . . . . 70.04 109.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' HB2' HD13 ' C' ' 765' ' ' LEU . 20.0 t-105 -98.59 117.02 32.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 75.25 108.133 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -162.78 132.3 4.31 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.646 0.592 . . . . 74.14 111.195 -166.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 0.6 OUTLIER -75.73 137.97 40.96 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.238 -0.653 . . . . 71.41 109.238 168.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mm -114.03 120.6 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.322 -1.362 . . . . 74.1 107.322 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.3 m -87.76 122.05 30.94 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.279 0.491 . . . . 74.51 110.099 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD12 ' HZ2' ' A' ' 29' ' ' LYS . 1.3 pt? -136.51 166.47 23.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.209 1.003 . . . . 72.33 109.203 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 2.7 mp0 -103.78 151.7 22.74 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.877 -0.786 . . . . 71.35 108.877 168.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' B' ' 101' ' ' MET . 12.0 p -148.99 155.99 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.67 -0.696 . . . . 75.54 110.2 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.39 144.35 28.64 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.175 0.99 . . . . 72.24 110.357 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -65.46 -34.42 43.2 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.411 2.074 . . . . 75.12 111.134 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -75.84 -10.04 59.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.329 1.051 . . . . 73.13 112.057 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 163.84 19.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.638 0.775 . . . . 75.43 110.377 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -94.4 159.94 14.88 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.383 0.611 . . . . 74.2 110.839 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 56' ' ' LEU . 26.5 mm -63.9 -27.18 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 124.81 1.244 . . . . 74.45 110.413 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.33 -21.8 66.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.372 1.069 . . . . 73.14 111.243 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -73.92 -37.74 64.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.482 -0.562 . . . . 65.41 109.482 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 61.8 t -65.89 -45.17 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.123 -0.695 . . . . 74.42 109.123 173.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -56.83 -45.37 82.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.253 1.021 . . . . 70.42 110.6 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.56 -34.89 65.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.653 0.381 . . . . 63.41 111.569 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HZ2' HD12 ' A' ' 15' ' ' LEU . 17.3 ptmt -74.97 -35.28 62.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.579 0.352 . . . . 75.02 110.92 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.42 HD11 ' OE1' ' A' ' 41' ' ' GLN . 18.4 pt -75.49 -27.24 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.207 0.458 . . . . 74.03 110.245 172.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.327 0.584 . . . . 74.51 110.377 171.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.64 -48.79 36.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.241 -0.89 . . . . 73.24 110.657 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 -60.87 1.89 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.525 -0.762 . . . . 73.15 111.507 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 60.1 mm-40 -78.66 -30.73 46.44 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.439 0.696 . . . . 75.31 110.601 -173.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.92 15.83 50.58 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.894 -0.593 . . . . 73.41 113.123 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -73.24 114.85 35.15 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.785 0.834 . . . . 74.03 111.546 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.77 139.15 33.09 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.366 2.044 . . . . 73.11 110.359 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -54.62 -30.12 64.16 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.39 2.726 . . . . 74.13 113.152 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.74 -46.61 88.86 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.825 -1.08 . . . . 75.13 110.664 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -83.85 -13.48 53.56 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.179 -0.919 . . . . 64.42 111.74 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.42 ' OE1' HD11 ' A' ' 30' ' ' ILE . 17.7 tt0 -81.65 133.7 35.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.373 1.469 . . . . 61.15 110.804 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.74 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 66.9 mtp180 -129.41 87.88 2.61 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 106.741 -1.577 . . . . 74.33 106.741 167.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.97 116.58 15.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.627 0.771 . . . . 74.23 110.279 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' HB ' HG22 ' A' ' 68' ' ' ILE . 5.0 mm -111.14 135.98 48.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 122.976 0.51 . . . . 72.23 109.655 175.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.83 103.93 7.33 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.864 -1.162 . . . . 74.43 107.864 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' C' ' 783' ' ' THR . . . 63.56 13.47 7.28 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 124.141 0.901 . . . . 71.21 112.666 170.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' HA2' ' HH ' ' C' ' 757' ' ' TYR . . . 94.52 20.41 29.55 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.287 -0.415 . . . . 74.51 113.846 -174.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -125.06 136.21 53.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.596 1.159 . . . . 72.34 108.095 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -89.08 127.17 35.69 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 109.856 -0.424 . . . . 73.13 109.856 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -88.95 113.1 24.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.511 -0.768 . . . . 74.54 109.229 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.15 129.26 39.22 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.694 -0.854 . . . . 65.21 108.694 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.31 -51.76 51.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.028 1.331 . . . . 73.41 112.619 -168.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 18.18 56.66 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-O 119.804 -0.442 . . . . 73.01 113.903 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -93.65 174.97 6.92 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.109 -1.071 . . . . 70.45 108.109 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.4 m -108.35 149.63 28.43 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.824 1.193 . . . . 73.31 110.418 -170.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 HD12 ' A' ' 61' ' ' ILE . 2.5 mm? -57.42 -42.81 83.07 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.588 0.755 . . . . 75.31 109.903 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.6 t -64.47 -30.79 71.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.224 1.01 . . . . 75.54 112.924 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.33 -36.72 73.81 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.09 0.471 . . . . 74.35 110.225 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.0 m-85 -88.66 -8.83 53.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.708 -0.678 . . . . 73.55 110.844 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 59.5 48.3 9.9 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 122.024 0.916 . . . . 61.21 109.074 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG13 ' HB2' ' A' ' 59' ' ' TYR . 21.0 mt -66.38 111.08 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 114.929 -1.032 . . . . 71.45 111.027 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.79 178.88 7.97 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.456 -1.247 . . . . 73.21 110.731 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.69 164.46 23.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.78 -1.1 . . . . 75.42 111.43 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 48.02 30.83 2.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 126.482 1.913 . . . . 72.23 113.81 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.454 ' HB2' HG22 ' B' ' 103' ' ' ILE . 51.5 m -78.07 125.73 29.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.886 -0.597 . . . . 72.22 110.018 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.44 110.34 20.75 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.06 0.457 . . . . 64.15 110.142 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD21 HG12 ' B' ' 105' ' ' VAL . 0.5 OUTLIER -99.05 164.05 12.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.921 0.888 . . . . 64.12 108.697 175.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.561 ' HA ' ' HB3' ' B' ' 106' ' ' ASP . 4.5 tt -138.72 126.96 28.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 109.632 -0.507 . . . . 74.14 109.632 175.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD13 HG23 ' B' ' 107' ' ' THR . 35.9 mt -96.68 120.0 36.19 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.41 -0.813 . . . . 73.11 108.98 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 44.1 mt -93.28 120.14 33.23 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.539 -1.652 . . . . 75.35 106.539 173.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.38 162.51 28.49 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.946 -0.761 . . . . 74.34 108.946 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -32.34 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.923 0.889 . . . . 74.13 112.519 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' C' ' 760' ' ' ALA . 11.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.343 -1.299 . . . . 74.24 110.189 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 118.698 -0.667 . . . . 65.33 110.597 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 112.056 -0.418 . . . . 73.44 112.056 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.578 ' HE3' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -155.9 -171.45 3.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.925 0.89 . . . . 74.43 109.75 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -136.11 152.95 51.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.303 1.041 . . . . 74.34 108.619 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 65' ' ' SER . 21.7 pt -142.57 165.02 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.955 0.502 . . . . 75.14 111.385 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -118.15 106.13 12.53 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.242 -1.022 . . . . 74.15 108.242 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.468 HG12 HD21 ' A' ' 67' ' ' LEU . 27.3 m -97.51 115.55 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 118.774 0.715 . . . . 73.0 109.249 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.561 ' HB3' ' HA ' ' A' ' 68' ' ' ILE . 25.7 t70 -71.24 129.83 39.89 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.646 -0.501 . . . . 63.51 109.646 174.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 69' ' ' LEU . 73.4 p -130.29 133.91 46.82 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.803 1.241 . . . . 75.13 108.157 -176.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 4.1 p -125.49 119.57 55.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.491 0.662 . . . . 73.43 110.814 173.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 67.5 mm-40 -112.71 106.14 14.45 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.056 -0.975 . . . . 72.24 108.405 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 6' ' ' ASP . 71.9 t-105 -82.03 147.04 29.37 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.232 -0.655 . . . . 74.03 109.232 171.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.569 ' HG3' ' HG1' ' A' ' 7' ' ' THR . 18.5 ptpt -158.87 147.99 18.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.259 -1.015 . . . . 74.25 108.259 171.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 56.6 m -118.96 123.37 44.42 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.662 -0.866 . . . . 72.23 108.662 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 32.0 mm -94.49 109.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 108.341 -0.985 . . . . 74.44 108.341 -177.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.1 m -92.42 124.98 36.86 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.83 164.18 30.91 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 121.051 0.453 . . . . 74.54 111.016 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.408 ' HG2' HE22 ' A' ' 2' ' ' GLN . 0.8 OUTLIER -97.07 143.82 27.53 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.524 -1.658 . . . . 63.44 106.524 170.289 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.442 HG11 ' HE2' ' A' ' 1' ' ' MET . 9.3 p -149.08 163.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.194 0.452 . . . . 63.24 110.721 177.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.97 147.69 35.98 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.59 0.756 . . . . 65.45 109.489 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.07 -40.97 81.59 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 123.043 2.495 . . . . 73.02 112.787 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 22.8 m -79.91 -8.45 59.32 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.025 -0.534 . . . . 74.35 112.019 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.53 151.27 47.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.393 -0.595 . . . . 55.05 109.393 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.62 166.84 15.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.214 0.531 . . . . 74.34 110.175 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.647 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 29.4 mm -72.97 -21.22 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.791 -0.641 . . . . 64.54 110.352 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.6 pt-20 -58.82 -26.32 64.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 74.53 111.873 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 60.1 m-80 -64.26 -54.98 24.73 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.479 -0.563 . . . . 72.11 109.479 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.24 -41.09 88.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 123.761 0.824 . . . . 73.22 110.453 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.595 ' HB2' HE22 ' B' ' 141' ' ' GLN . 37.3 pttt -63.8 -41.28 97.95 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 115.807 -0.633 . . . . 71.42 109.798 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.9 -28.06 63.25 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 122.836 0.454 . . . . 72.25 110.913 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 8.9 mmpt? -67.14 -52.11 45.57 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.309 0.38 . . . . 75.54 110.525 176.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.489 HD13 ' NE2' ' B' ' 141' ' ' GLN . 2.7 pp -70.89 -29.26 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 122.988 0.18 . . . . 74.1 111.37 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.57 -39.82 84.91 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.736 0.414 . . . . 74.34 110.117 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.58 -52.24 27.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.408 0.683 . . . . 64.42 110.259 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -86.26 -51.06 6.5 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.537 -0.756 . . . . 74.42 111.774 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.7 -18.81 27.1 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.662 0.385 . . . . 60.04 111.285 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.52 72.6 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.932 -0.371 . . . . 75.42 113.589 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.09 118.69 73.44 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.61 0.764 . . . . 75.31 110.117 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.414 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 38.6 Cg_exo -61.76 125.68 17.21 Favored 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.146 2.564 . . . . 71.42 111.775 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 6.8 Cg_endo -48.77 -39.23 38.67 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 124.019 3.146 . . . . 75.23 114.538 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.67 -34.1 77.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.908 0.883 . . . . 74.12 111.292 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.453 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 22.8 mt-30 -103.97 17.46 24.06 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.664 0.785 . . . . 74.42 111.423 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.595 HE22 ' HB2' ' B' ' 127' ' ' LYS . 5.4 tt0 -102.54 110.33 22.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.821 1.248 . . . . 74.34 110.213 -175.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -94.85 81.32 3.76 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.312 0.645 . . . . 75.55 109.596 169.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 100.14 6.25 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.318 -1.364 . . . . 73.43 107.318 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.92 121.92 46.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.37 -0.604 . . . . 73.13 109.37 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' B' ' 167' ' ' LEU . 65.2 t80 -109.36 104.94 14.13 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.274 1.03 . . . . 74.21 108.468 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.92 29.43 9.95 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.799 0.84 . . . . 74.24 113.166 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.74 17.81 37.17 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 114.425 0.53 . . . . 74.1 114.425 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.566 ' HE3' ' HD1' ' B' ' 159' ' ' TYR . 0.1 OUTLIER -142.71 123.31 14.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.282 0.633 . . . . 74.54 109.686 173.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.9 159.03 34.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.385 0.674 . . . . 75.11 111.935 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 43.3 mt -110.21 117.87 34.83 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.201 -0.909 . . . . 74.44 110.766 -175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.03 125.56 29.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.854 0.861 . . . . 70.51 109.292 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.647 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 7.2 p-10 -60.48 -34.0 73.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.435 0.694 . . . . 74.41 112.526 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -86.36 9.05 71.82 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.508 -0.607 . . . . 71.34 113.814 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' B' ' 159' ' ' TYR . 21.5 ttm-85 -110.47 162.55 14.57 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.012 0.906 . . . . 75.31 109.053 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 40.6 p -96.47 157.6 15.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.217 0.607 . . . . 74.31 111.482 -171.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.431 HD22 HD12 ' B' ' 123' ' ' ILE . 2.9 mm? -57.96 -38.28 75.73 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.38 1.072 . . . . 72.53 109.836 174.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.5 t -61.95 -39.67 92.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.959 0.904 . . . . 72.41 112.134 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.45 -31.28 65.77 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.068 0.855 . . . . 70.03 111.163 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.566 ' HD1' ' HE3' ' B' ' 148' ' ' LYS . 91.5 m-85 -90.17 -12.59 37.72 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.713 -0.676 . . . . 64.42 111.474 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.97 52.54 2.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.079 1.419 . . . . 74.25 109.346 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.403 ' HB ' ' HE1' ' A' ' 1' ' ' MET . 10.3 mm -68.44 114.16 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 113.536 -1.666 . . . . 75.3 110.082 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -85.08 156.2 21.18 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.529 0.68 . . . . 52.35 110.6 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.29 144.1 51.29 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 115.68 -0.691 . . . . 73.13 109.466 170.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 50.2 29.03 3.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.127 1.371 . . . . 75.35 112.824 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 78.4 p -62.51 127.07 29.59 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 110.458 -0.201 . . . . 71.33 110.458 167.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.55 128.29 37.32 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 109.381 -0.6 . . . . 75.24 109.381 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.416 ' HB3' ' CD2' ' B' ' 145' ' ' PHE . 1.3 pt? -144.63 126.35 15.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.7 0.8 . . . . 73.12 109.511 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 12.6 pt -95.25 128.98 46.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.866 0.841 . . . . 73.4 110.129 -166.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.548 HD11 ' HG3' ' B' ' 141' ' ' GLN . 34.0 tp -99.11 103.33 15.23 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.136 -0.938 . . . . 73.34 109.158 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.68 160.69 14.16 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.468 -1.242 . . . . 74.05 109.688 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.31 171.67 13.81 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.883 0.473 . . . . 74.42 110.035 171.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.453 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.7 t -44.73 100.64 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 114.505 1.298 . . . . 75.22 114.505 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -112.48 -83.98 0.58 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 106.35 -1.722 . . . . 74.14 106.35 160.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.619 -1.252 . . . . 74.14 107.619 163.725 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 112.531 -0.227 . . . . 60.11 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 45.6 p -142.93 27.09 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.695 0.798 . . . . 62.34 110.235 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.53 96.05 3.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.109 0.964 . . . . 73.31 109.044 -173.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 58.1 p -149.94 7.32 0.63 Allowed 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.382 -0.823 . . . . 73.53 112.196 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.82 105.56 17.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.784 0.834 . . . . 74.1 108.804 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 22.9 m -74.63 89.07 2.21 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.553 0.741 . . . . 75.45 110.345 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -173.13 -101.81 0.15 Allowed Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.837 -0.62 . . . . 64.11 112.048 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 78.3 mtp 67.1 136.83 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.35 1.46 . . . . 75.3 112.552 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . 0.497 ' HB2' ' HB1' ' C' ' 744' ' ' ALA . . . -86.73 -105.51 0.06 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.712 0.805 . . . . 73.43 111.257 -173.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 70.0 m -156.36 -74.1 0.1 Allowed 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 118.744 0.702 . . . . 74.42 110.154 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -81.87 -26.27 34.33 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.683 0.754 . . . . 63.33 109.717 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' C' ' 741' ' ' ALA . . . -73.66 -11.39 60.4 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.459 -1.246 . . . . 72.11 112.065 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -52.4 -47.38 66.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.794 0.838 . . . . 75.31 111.822 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 30.9 mm-40 -55.13 -44.33 74.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.726 0.81 . . . . 75.42 110.849 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.49 -50.75 23.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.113 -1.403 . . . . 72.1 111.435 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.76 -31.53 72.8 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.763 0.664 . . . . 72.5 110.936 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.72 -33.6 68.86 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.531 0.519 . . . . 64.03 110.639 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 36.9 mm-40 -66.21 -39.82 89.9 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 109.736 -0.468 . . . . 72.11 109.736 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.54 -35.55 77.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.703 0.801 . . . . 72.55 110.826 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -72.22 -39.0 68.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.386 -0.968 . . . . 75.22 108.386 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' C' ' 756' ' ' THR . 0.6 OUTLIER -63.91 -38.69 92.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.198 0.599 . . . . 74.25 109.959 174.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.6 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 13.4 m-85 -66.77 -37.43 84.58 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.194 -0.669 . . . . 75.22 109.194 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -67.27 -33.8 76.08 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 123.867 0.729 . . . . 75.44 110.206 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 756' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' C' ' 753' ' ' LEU . 62.6 m -60.63 -43.58 97.36 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 122.924 0.49 . . . . 74.03 110.465 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.419 ' HH ' ' HA2' ' A' ' 47' ' ' GLY . 18.4 m-85 -65.65 -57.18 8.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.938 0.495 . . . . 75.03 111.442 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.453 HG13 ' O ' ' C' ' 754' ' ' PHE . 55.1 mt -61.47 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 124.343 1.027 . . . . 74.44 110.237 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.78 -41.84 92.01 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.693 0.621 . . . . 73.24 110.521 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 73' ' ' LEU . . . -74.61 -36.27 62.95 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.868 0.73 . . . . 65.31 112.163 -176.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.705 ' SD ' HD23 ' C' ' 762' ' ' LEU . 3.8 ppp? -77.96 -28.93 49.56 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.737 -0.21 . . . . 73.33 110.477 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.705 HD23 ' SD ' ' C' ' 761' ' ' MET . 3.9 mm? -79.78 -25.0 41.09 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.634 1.174 . . . . 74.11 110.429 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 1.3 m -61.94 -17.67 57.65 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.967 0.907 . . . . 75.1 111.234 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -111.02 -51.05 2.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.639 0.776 . . . . 72.34 109.149 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.58 HD13 ' HB2' ' A' ' 10' ' ' TRP . 7.3 mp -97.71 61.86 1.62 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.225 1.01 . . . . 74.43 111.333 -176.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.97 70.22 8.84 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.729 -0.607 . . . . 74.04 110.992 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 10.3 m 173.72 92.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.244 2.217 . . . . 73.15 108.195 176.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.42 HD21 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -162.11 146.83 12.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.724 0.773 . . . . 64.24 112.689 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.3 t -72.16 157.43 37.77 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-N 114.931 -1.031 . . . . 72.5 110.401 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.585 HD13 HD11 ' C' ' 795' ' ' LEU . 13.9 tp -55.73 -25.86 42.53 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.789 -1.096 . . . . 71.42 112.094 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.79 -53.84 46.63 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.842 0.857 . . . . 75.54 112.047 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -60.41 -52.19 66.3 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.536 0.734 . . . . 75.13 111.415 -174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.604 HD11 HD21 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -67.09 -39.14 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 115.021 -0.991 . . . . 74.43 110.695 -177.102 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.525 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 22.0 t80 -56.18 -49.82 72.94 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.593 -0.521 . . . . 72.1 109.593 173.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . 0.402 HD21 ' HD1' ' C' ' 774' ' ' TYR . 0.9 OUTLIER -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 124.254 0.971 . . . . 70.13 111.404 -176.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.665 ' SD ' ' HE2' ' C' ' 761' ' ' MET . 80.1 mtp -63.62 -58.2 7.68 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.347 0.404 . . . . 72.15 110.835 172.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.3 -34.93 71.1 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.845 0.458 . . . . 74.32 110.736 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -69.81 -37.86 76.4 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 124.581 1.152 . . . . 73.22 110.472 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.44 -57.41 13.04 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.042 0.937 . . . . 75.23 110.573 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . 0.6 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 57.9 m-85 -65.46 -27.93 68.85 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 111.49 0.182 . . . . 74.21 111.49 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' C' ' 786' ' ' ALA . 1.6 t -69.3 -44.61 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.331 0.652 . . . . 73.52 111.375 172.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.79 -20.64 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 120.703 0.287 . . . . 74.54 111.225 -168.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 783' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 46' ' ' ALA . 18.8 p -75.6 -20.09 58.81 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.572 0.582 . . . . 73.34 112.572 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -144.73 -163.14 9.88 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-O 119.93 -0.372 . . . . 73.3 113.071 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -84.51 4.45 6.88 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 122.91 2.407 . . . . 73.54 113.159 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' C' ' 781' ' ' VAL . . . -49.63 106.07 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.94 1.296 . . . . 74.21 112.148 -174.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 84.2 mt 68.97 -0.52 2.39 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.346 1.458 . . . . 74.23 113.776 174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 53.7 43.69 30.72 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.605 0.762 . . . . 75.33 111.747 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . 0.411 ' HA ' ' CG1' ' C' ' 781' ' ' VAL . 1.3 mp0 75.3 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.102 1.761 . . . . 70.13 113.364 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.57 HG12 HG21 ' C' ' 781' ' ' VAL . 16.7 pt -108.42 155.27 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.635 1.174 . . . . 72.33 109.527 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' C' ' 795' ' ' LEU . 9.8 p-10 -124.87 -171.38 2.34 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.981 0.912 . . . . 63.31 109.709 -169.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.97 -47.76 21.8 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.319 1.012 . . . . 73.44 111.46 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.61 -59.5 5.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.284 0.99 . . . . 74.31 111.795 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.91 -36.32 83.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.086 0.554 . . . . 75.05 112.062 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.585 HD11 HD13 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -64.72 -50.45 66.87 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.684 0.794 . . . . 74.32 109.732 177.438 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.99 -41.77 83.73 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 114.613 -1.176 . . . . 62.03 111.111 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.29 96.28 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 124.311 1.007 . . . . 74.21 112.713 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.52 -54.39 47.54 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.541 0.736 . . . . 72.24 109.982 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.604 HD21 HD11 ' C' ' 773' ' ' ILE . 4.5 mm? -59.04 -45.74 89.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.484 -0.78 . . . . 75.45 111.124 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.22 -43.64 74.67 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.852 1.261 . . . . 73.35 110.078 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -54.46 30.97 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.101 0.876 . . . . 75.51 109.518 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -55.01 -37.62 66.85 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.933 0.716 . . . . 65.2 112.933 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.88 -48.49 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.018 0.527 . . . . 72.03 109.925 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -74.51 -14.61 60.84 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.896 0.702 . . . . 72.44 112.896 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.47 1.1 55.48 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.468 1.107 . . . . 75.12 111.239 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 59.37 34.54 22.83 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.115 1.366 . . . . 74.22 110.689 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -118.25 0.25 11.68 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.151 1.38 . . . . 74.31 110.21 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.33 36.59 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.502 -1.296 . . . . 64.1 107.502 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 46.1 t -105.8 117.43 51.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 N-CA-C 108.654 -0.869 . . . . 73.42 108.654 168.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.12 107.3 19.13 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.349 -1.352 . . . . 74.14 107.349 170.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.511 ' HB2' HG11 ' C' ' 814' ' ' VAL . 19.6 m -83.36 -157.04 0.22 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.087 -0.708 . . . . 72.53 109.087 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.69 77.06 0.6 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 118.72 0.691 . . . . 72.11 111.375 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.39 18.31 79.86 Favored Glycine 0 C--N 1.359 1.82 0 CA-C-N 115.708 -0.678 . . . . 72.51 113.082 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' C' ' 811' ' ' SER . 7.2 p -138.46 137.82 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 109.122 -0.696 . . . . 74.14 109.122 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -97.88 143.21 28.71 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 122.779 0.432 . . . . 75.21 110.241 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.3 147.14 15.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.258 -0.883 . . . . 73.23 109.621 177.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.706 ' HB3' ' HG2' ' C' ' 819' ' ' LYS . 7.0 mp -84.05 144.94 45.24 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 122.374 -0.204 . . . . 74.12 111.53 176.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.29 47.53 2.28 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 123.361 2.708 . . . . 74.53 113.156 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . 0.706 ' HG2' ' HB3' ' C' ' 817' ' ' LEU . 32.1 mmtp -87.57 -18.9 28.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.958 0.503 . . . . 75.23 111.753 -176.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -64.68 -26.77 68.52 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.851 0.46 . . . . 71.5 110.694 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.27 -32.5 70.08 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 123.564 0.746 . . . . 51.04 110.522 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 CA--C 1.561 1.399 0 C-N-CA 125.052 1.341 . . . . 73.04 111.024 173.724 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 110.983 -0.847 . . . . 54.15 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HE2' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -156.12 150.73 25.9 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.472 0.709 . . . . 70.21 109.265 179.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.563 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -96.43 164.19 12.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.944 -0.571 . . . . 75.33 111.057 -178.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -138.14 154.33 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 124.003 0.921 . . . . 75.42 109.262 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.85 102.52 9.77 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.284 -1.376 . . . . 74.12 107.284 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.8 t -90.76 94.18 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.492 -0.558 . . . . 75.34 109.492 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.82 96.68 5.7 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.659 -0.497 . . . . 53.45 109.659 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' B' ' 169' ' ' LEU . 14.4 t -93.32 121.1 34.36 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.883 -0.784 . . . . 73.4 108.883 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.08 132.06 38.37 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.84 -0.618 . . . . 72.32 109.5 -174.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.609 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 84.2 mm-40 -116.81 84.6 2.17 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.604 -0.726 . . . . 73.32 109.782 -173.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.518 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 29.3 t-105 -105.24 105.52 15.6 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 114.798 -1.092 . . . . 75.43 108.983 176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.609 ' HE2' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -138.63 149.38 45.15 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.102 0.961 . . . . 74.31 108.95 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.417 HG23 ' HB3' ' B' ' 104' ' ' PHE . 7.8 m -94.77 117.37 30.03 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.243 -0.651 . . . . 74.14 109.243 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 14.2 mt -96.37 165.46 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.28 1.032 . . . . 74.41 109.971 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 13' ' ' ILE . 24.7 m -121.34 130.02 53.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 123.518 0.727 . . . . 73.51 109.13 172.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 152.74 38.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.888 0.875 . . . . 65.51 109.576 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 31.6 tt0 -91.69 146.53 23.7 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.984 -0.376 . . . . 75.14 109.984 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG11 ' HE2' ' B' ' 101' ' ' MET . 11.7 p -134.95 166.38 28.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 124.089 0.956 . . . . 74.13 109.5 175.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -108.86 145.76 32.36 Favored Pre-proline 0 C--N 1.354 0.787 0 C-N-CA 122.799 0.44 . . . . 73.31 110.17 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.18 -34.76 26.99 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.04 2.493 . . . . 73.33 112.366 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -80.07 -11.46 59.76 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.631 -0.713 . . . . 63.01 111.834 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.89 161.27 21.93 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 122.806 0.442 . . . . 71.5 110.721 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -82.48 160.3 22.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.289 0.566 . . . . 74.4 110.459 170.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.699 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.2 mm -65.69 -24.72 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.913 -1.04 . . . . 74.24 110.026 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -22.31 66.0 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.992 0.517 . . . . 64.12 111.096 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.545 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m-20 -62.78 -50.59 70.42 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 171.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.79 -44.55 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.903 0.881 . . . . 74.22 110.105 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -54.21 -46.73 72.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.417 -1.265 . . . . 75.01 110.748 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.49 64.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.01 -0.996 . . . . 75.22 111.749 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 71.8 mmtt -70.92 -49.22 48.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.493 0.317 . . . . 75.31 110.619 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.2 pt -70.25 -27.54 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.441 0.297 . . . . 75.13 110.992 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.11 -39.54 90.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.333 0.653 . . . . 74.21 110.983 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.82 -42.48 70.18 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.939 0.896 . . . . 65.15 110.999 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.01 -60.15 2.03 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.003 . . . . 73.11 111.788 -171.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -85.78 -36.44 20.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.714 0.406 . . . . 65.42 110.096 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 33.67 9.03 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.11 -0.495 . . . . 70.14 112.762 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -77.67 122.71 86.16 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 108.305 -0.998 . . . . 75.04 108.305 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 27.3 Cg_endo -61.94 119.6 6.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.852 2.368 . . . . 71.35 112.233 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -52.92 -49.28 18.14 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 124.498 3.466 . . . . 73.22 113.954 -175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -83.2 -1.97 54.37 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.717 -0.674 . . . . 70.33 111.878 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 24.8 mt-30 -115.85 8.39 14.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.597 0.759 . . . . 65.13 111.11 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -118.46 156.11 29.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.129 0.572 . . . . 72.15 110.608 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.653 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 44.3 mtp180 -136.04 108.91 7.58 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.799 -1.185 . . . . 74.22 107.799 -174.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HB3' HD12 ' A' ' 67' ' ' LEU . 6.7 mp -85.97 119.33 26.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.156 -0.683 . . . . 74.42 109.156 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.643 HG22 ' HE1' ' C' ' 757' ' ' TYR . 78.8 mt -129.28 140.68 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.307 0.643 . . . . 73.12 110.368 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HB2' HD23 ' A' ' 50' ' ' LEU . 2.2 m-85 -110.04 -160.67 0.72 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.143 -1.428 . . . . 73.32 107.143 172.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.73 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.575 1.15 . . . . 63.51 113.203 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 60.07 32.32 75.45 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 114.922 -1.035 . . . . 74.54 113.394 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.82 133.91 55.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.706 0.253 . . . . 73.14 110.829 -174.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.96 106.16 18.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.715 0.806 . . . . 75.5 110.249 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -83.35 92.17 7.48 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.629 0.771 . . . . 64.32 109.372 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.04 119.85 9.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.942 -1.026 . . . . 71.54 108.953 168.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.9 p-10 -61.75 -32.39 72.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.012 0.434 . . . . 64.12 111.061 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.23 8.42 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 119.674 -0.514 . . . . 74.23 113.693 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' HG12 ' A' ' 23' ' ' ILE . 54.6 ttt180 -123.19 171.47 9.32 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.648 -0.871 . . . . 74.25 108.648 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 m -101.44 148.78 24.78 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 119.857 1.208 . . . . 72.33 112.249 -166.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.98 -49.44 75.74 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.495 0.718 . . . . 75.13 111.033 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.787 -0.642 . . . . 73.43 112.175 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -36.01 70.98 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.221 0.951 . . . . 74.31 110.734 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.92 -16.14 32.58 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.981 -0.554 . . . . 72.1 111.039 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 t30 63.33 64.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.571 1.148 . . . . 74.23 110.96 -169.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.69 114.29 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.322 -0.992 . . . . 72.23 108.322 165.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -101.42 174.97 5.73 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.278 0.631 . . . . 70.43 110.383 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -73.27 138.88 45.76 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.181 0.593 . . . . 74.33 110.741 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.51 31.0 20.71 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.283 1.433 . . . . 75.02 112.714 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -85.36 140.25 30.92 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 109.701 -0.481 . . . . 74.2 109.701 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.82 120.57 39.96 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.037 0.446 . . . . 74.44 112.098 -171.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 43' ' ' LEU . 6.9 tt -110.15 130.6 55.51 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.284 1.434 . . . . 71.53 108.874 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.721 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 11.8 tt -94.75 139.1 19.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 123.293 0.637 . . . . 75.12 110.142 173.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.13 110.1 22.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.559 0.743 . . . . 72.21 110.355 174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 89.5 mt -96.36 116.02 28.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.555 -1.202 . . . . 71.54 108.427 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD13 HG11 ' B' ' 108' ' ' VAL . 10.5 mp -75.3 170.47 16.02 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.286 -0.635 . . . . 73.51 109.286 169.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -35.03 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.14 1.376 . . . . 73.11 113.655 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.624 HD12 ' HB1' ' C' ' 760' ' ' ALA . 9.3 tt -62.56 -54.01 46.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.504 -1.226 . . . . 75.23 109.927 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 114.526 -1.215 . . . . 75.11 107.97 -178.186 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.285 -0.326 . . . . 73.2 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.537 ' HE2' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -147.54 149.89 33.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.515 0.726 . . . . 73.2 110.184 -176.309 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.533 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -92.69 152.6 19.44 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.757 -0.656 . . . . 73.24 109.984 -173.153 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.9 pt -141.0 164.62 20.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 124.089 0.956 . . . . 71.11 110.176 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -105.01 135.74 45.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.739 -1.119 . . . . 75.4 108.429 174.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.444 HG12 HD23 ' A' ' 67' ' ' LEU . 16.0 m -120.79 107.46 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.777 0.799 . . . . 75.4 110.471 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.721 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 3.4 m-20 -66.37 96.33 0.35 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.654 -1.157 . . . . 73.15 109.362 173.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 55.5 p -100.99 140.83 34.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 74.1 110.351 -175.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.518 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.3 p -128.17 123.35 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.397 0.679 . . . . 71.1 109.803 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -129.31 129.59 45.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.109 1.364 . . . . 75.24 108.598 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -80.24 142.34 34.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.0 0.52 . . . . 75.42 109.786 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.401 ' HB2' HG23 ' A' ' 7' ' ' THR . 62.8 mttm -132.45 89.46 2.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.617 -0.882 . . . . 73.52 108.617 172.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.9 m -77.18 108.36 10.23 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.345 -0.843 . . . . 73.42 109.514 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 15.7 mm -92.0 104.52 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.037 -1.468 . . . . 71.25 107.037 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 95.8 m -90.28 111.8 23.13 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.597 -0.89 . . . . 74.01 108.597 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.25 162.53 25.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.73 -0.668 . . . . 72.02 109.483 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.0 tt0 -113.81 140.41 48.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.076 -1.083 . . . . 75.21 108.076 166.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.03 171.04 17.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 123.519 0.727 . . . . 70.32 109.925 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -114.77 151.97 45.91 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.272 0.629 . . . . 63.45 109.567 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.82 -37.19 28.51 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.837 2.358 . . . . 72.41 112.827 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 25.3 m -82.38 -8.12 59.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.123 -0.49 . . . . 72.33 111.187 -174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -74.65 149.79 39.85 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.572 -0.529 . . . . 73.3 109.572 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -85.5 169.09 13.93 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.005 0.815 . . . . 62.14 111.053 174.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.1 mm -72.13 -16.86 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.268 0.627 . . . . 73.11 110.47 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.418 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -62.12 -30.15 70.83 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 122.977 0.511 . . . . 75.43 110.583 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 38.3 m-80 -62.48 -48.43 79.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.748 -0.464 . . . . 74.34 109.748 172.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -44.87 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.614 0.766 . . . . 74.32 111.016 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -65.12 -37.34 87.13 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 122.372 0.269 . . . . 75.24 110.384 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.59 74.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 115.993 -0.548 . . . . 73.33 111.28 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 68.8 mmtt -71.33 -47.91 53.67 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 110.348 -0.242 . . . . 71.44 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.436 ' HB ' HD13 ' B' ' 136' ' ' ILE . 28.4 pt -67.88 -31.09 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 119.857 -0.116 . . . . 62.33 111.043 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.83 -48.2 55.28 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.63 0.372 . . . . 74.31 111.277 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.47 -49.56 76.31 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.759 0.79 . . . . 75.34 110.912 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -84.92 -55.52 4.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.406 -1.27 . . . . 74.42 110.44 -173.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -98.61 -21.1 16.63 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.618 0.229 . . . . 74.13 111.618 -167.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.91 14.05 68.09 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.778 -0.457 . . . . 54.21 113.5 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.436 HD13 ' HB ' ' B' ' 130' ' ' ILE . 69.2 mt -70.97 117.69 58.52 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 109.525 -0.546 . . . . 73.21 109.525 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.695 ' HB2' ' HG2' ' B' ' 140' ' ' GLN . 23.4 Cg_exo -62.47 122.93 11.52 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 123.159 2.573 . . . . 74.44 111.958 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -57.78 -38.56 92.46 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.654 2.903 . . . . 74.21 113.42 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.44 -30.77 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.623 0.769 . . . . 53.15 112.298 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.695 ' HG2' ' HB2' ' B' ' 137' ' ' PRO . 2.6 pt20 -111.02 27.89 9.25 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 120.994 0.426 . . . . 73.53 111.191 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.506 ' HG3' HD13 ' B' ' 169' ' ' LEU . 17.7 tt0 -70.75 82.38 0.63 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.05 -0.722 . . . . 74.22 109.05 169.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 126.85 41.28 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.079 -1.452 . . . . 75.52 107.079 172.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.705 HD22 ' H ' ' B' ' 150' ' ' LEU . 0.0 OUTLIER -141.23 153.14 45.11 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 122.941 0.497 . . . . 72.11 110.108 -176.583 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -119.39 110.12 16.58 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 106.847 -1.538 . . . . 52.04 106.847 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' B' ' 165' ' ' SER . 64.7 t80 -108.75 99.73 9.05 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.802 -1.184 . . . . 74.11 107.802 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 45.83 32.83 1.37 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.935 0.894 . . . . 74.04 113.022 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.81 25.3 27.75 Favored Glycine 0 C--N 1.359 1.848 0 C-N-CA 123.117 0.389 . . . . 71.32 114.07 -176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -129.51 172.84 11.14 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.0 0.92 . . . . 73.05 110.759 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -117.51 134.89 54.36 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.616 -1.254 . . . . 65.23 107.616 163.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.705 ' H ' HD22 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.69 96.07 7.42 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.957 -1.498 . . . . 74.12 106.957 164.669 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' B' ' 154' ' ' ARG . 34.3 tt0 -73.44 132.55 43.08 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.045 -0.98 . . . . 75.44 110.234 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -43.47 -45.52 6.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.063 1.745 . . . . 75.45 113.823 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.74 15.54 19.52 Favored Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.819 -1.082 . . . . 64.31 115.432 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.483 ' HD3' ' HB3' ' B' ' 151' ' ' GLU . 0.8 OUTLIER -118.74 174.07 6.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 117.957 0.879 . . . . 73.21 111.391 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.0 p -97.45 173.45 7.17 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.708 1.203 . . . . 74.34 110.408 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.13 -35.77 71.86 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.707 -0.678 . . . . 75.32 109.459 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.4 t -66.49 -29.7 69.87 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.605 0.762 . . . . 71.33 111.074 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -54.8 -33.59 61.7 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.721 0.809 . . . . 74.21 111.781 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -102.59 -1.97 29.32 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.416 -0.811 . . . . 72.02 110.941 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.6 47.48 24.72 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.152 0.981 . . . . 63.41 109.994 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.432 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 9.5 mm -52.41 119.25 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 114.177 -1.374 . . . . 74.14 111.246 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -79.19 149.62 31.9 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 121.393 0.616 . . . . 73.41 110.77 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.7 ptmm? -63.02 126.25 26.7 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.351 -0.981 . . . . 71.03 108.351 170.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 72.09 35.45 1.27 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.35 1.031 . . . . 73.34 109.816 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.403 ' HB3' ' CE2' ' B' ' 145' ' ' PHE . 58.6 m -50.62 146.75 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 116.259 -0.428 . . . . 70.32 111.669 161.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.55 126.56 37.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.163 0.585 . . . . 71.11 110.119 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.46 156.78 44.35 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.375 0.67 . . . . 71.35 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.3 tt -106.63 110.67 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 73.14 110.165 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' B' ' 141' ' ' GLN . 7.6 tt -99.61 141.07 32.89 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.329 -0.989 . . . . 72.44 108.329 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -141.22 141.29 34.04 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.737 0.815 . . . . 73.52 108.92 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.425 ' HG ' HG22 ' B' ' 136' ' ' ILE . 7.0 mp -75.17 96.46 3.29 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.675 -0.861 . . . . 63.41 108.675 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 91.9 m -149.99 145.14 26.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.446 0.698 . . . . 75.31 110.122 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 34.2 tp -88.61 146.57 25.04 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.731 0.812 . . . . 75.21 109.151 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 109.148 -0.686 . . . . 75.31 109.148 -178.901 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 112.628 -0.189 . . . . 75.24 112.628 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 30.3 p -90.13 84.03 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.602 0.761 . . . . 52.3 111.036 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 72.67 -70.16 0.17 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.836 1.654 . . . . 74.44 112.786 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 12.4 m 79.49 -57.44 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.889 1.676 . . . . 54.41 110.537 -173.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.68 78.89 8.37 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.171 0.589 . . . . 71.42 110.054 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 29.4 p -165.91 115.38 0.99 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 74.5 109.21 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 142.88 62.9 0.02 OUTLIER Glycine 0 C--O 1.22 -0.72 0 N-CA-C 111.439 -0.664 . . . . 74.43 111.439 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 53.8 mtm 58.32 -99.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.682 1.193 . . . . 74.15 112.225 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.01 68.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.577 0.751 . . . . 74.31 110.311 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 57.99 37.86 26.73 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.884 1.365 . . . . 71.1 109.395 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.07 -68.25 0.1 Allowed 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.615 -1.175 . . . . 71.23 108.778 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.85 76.32 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.187 0.995 . . . . 74.04 111.462 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -48.82 51.1 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-N 113.925 -1.489 . . . . 73.3 111.183 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -46.49 -60.22 2.49 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 125.303 1.627 . . . . 71.32 110.392 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 14.7 ptpt -60.03 -42.53 94.59 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 123.898 0.749 . . . . 73.03 111.998 -170.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.31 -57.79 11.47 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.98 0.8 . . . . 64.22 111.491 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.27 -21.41 62.1 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.42 -0.809 . . . . 71.33 110.689 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -84.06 -27.8 28.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.565 1.146 . . . . 72.32 110.365 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 62.3 mt -69.5 -37.13 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.368 -0.975 . . . . 72.34 108.368 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.68 -40.44 97.11 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.794 -0.639 . . . . 74.52 109.437 171.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -40.18 93.57 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.298 0.639 . . . . 74.45 111.383 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.481 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 35.0 m-85 -66.46 -33.33 75.45 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.854 0.359 . . . . 63.34 110.559 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -73.09 -29.76 63.17 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.691 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 88.5 m -64.06 -37.48 87.58 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.283 -0.636 . . . . 73.3 109.283 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.643 ' HE1' HG22 ' A' ' 44' ' ' ILE . 24.9 m-85 -63.73 -66.38 0.55 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.525 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -35.63 69.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 124.243 0.964 . . . . 72.33 111.652 -167.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . 0.511 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.3 tt0 -70.91 -49.54 44.63 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.411 0.284 . . . . 75.4 110.404 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.624 ' HB1' HD12 ' A' ' 73' ' ' LEU . . . -73.03 -23.14 60.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.861 0.689 . . . . 75.02 112.861 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.48 ' HE2' ' SD ' ' C' ' 776' ' ' MET . 5.3 ppp? -88.38 -48.65 7.48 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 119.154 -0.45 . . . . 62.14 110.092 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.473 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 18.6 mt -69.32 -16.45 63.55 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 118.498 0.59 . . . . 74.23 112.529 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 7.8 t -71.14 -21.33 62.21 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.457 0.571 . . . . 64.21 110.073 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -98.01 -62.43 1.25 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.587 0.755 . . . . 71.43 110.256 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.535 HD11 HD13 ' C' ' 768' ' ' LEU . 0.3 OUTLIER -96.94 64.04 1.98 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.395 1.093 . . . . 74.41 110.319 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.27 79.92 1.32 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.352 -1.295 . . . . 65.4 112.025 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m 162.99 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 126.725 2.01 . . . . 73.1 109.091 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.556 HD22 ' HG2' ' C' ' 772' ' ' ARG . 95.5 mt -134.29 142.31 47.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.17 0.588 . . . . 71.14 110.457 175.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.8 t -69.62 160.62 31.22 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 108.646 -0.872 . . . . 71.11 108.646 163.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.26 -30.73 64.9 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.953 0.501 . . . . 74.32 110.585 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . 0.473 ' HB2' HH11 ' C' ' 772' ' ' ARG . 7.8 m-20 -49.44 -37.3 25.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.471 1.108 . . . . 72.53 113.394 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.556 ' HG2' HD22 ' C' ' 768' ' ' LEU . 6.9 mpt_? -70.94 -66.43 0.61 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.869 0.467 . . . . 73.23 109.975 -174.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.539 HD13 HD21 ' C' ' 799' ' ' LEU . 2.4 pp -62.45 -24.5 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.858 -0.61 . . . . 75.44 111.791 -178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.651 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 23.9 t80 -64.02 -60.42 3.27 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 123.257 0.623 . . . . 74.11 109.776 170.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -54.76 -36.27 64.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.537 1.135 . . . . 72.11 111.746 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.48 ' SD ' ' HE2' ' C' ' 761' ' ' MET . 76.7 mtp -72.6 -53.89 10.64 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.434 -0.803 . . . . 75.32 111.524 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.87 -35.7 73.42 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 120.798 0.332 . . . . 65.31 110.645 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.463 ' HA ' HG22 ' C' ' 781' ' ' VAL . 10.3 tpt180 -67.87 -38.28 82.86 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.291 1.036 . . . . 73.14 110.169 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 44.9 ttp -58.73 -57.43 13.06 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.426 -0.583 . . . . 75.21 109.426 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -57.23 -40.04 76.73 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.6 0.562 . . . . 65.11 112.313 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.596 ' HA ' ' HB3' ' C' ' 786' ' ' ALA . 31.7 m -68.69 -43.32 83.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 118.987 -0.53 . . . . 74.54 112.039 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.81 -32.62 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.5 0.591 . . . . 73.35 112.197 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 24.7 p -72.83 -25.76 61.24 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.054 0.541 . . . . 74.23 111.878 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.2 -160.47 9.69 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 115.466 -0.788 . . . . 75.03 112.311 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.56 4.15 7.06 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 123.193 2.595 . . . . 74.44 112.292 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -57.17 99.64 0.04 OUTLIER 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.466 1.104 . . . . 75.03 111.856 -170.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 81.1 mt 63.67 2.17 1.22 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.306 1.443 . . . . 72.22 113.278 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 49.67 57.79 6.13 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.023 0.929 . . . . 74.22 112.343 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 66.32 114.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.381 1.472 . . . . 74.33 113.247 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.564 HG12 HG11 ' C' ' 781' ' ' VAL . 21.0 pt -101.24 161.46 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.025 0.93 . . . . 70.14 110.155 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.25 -171.26 2.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.692 -0.685 . . . . 74.14 109.188 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' C' ' 796' ' ' GLN . 4.0 mm? -60.6 -26.54 67.05 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.041 0.756 . . . . 74.12 113.041 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -54.6 45.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.157 0.979 . . . . 72.4 109.568 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . 0.469 ' HB2' ' HB ' ' C' ' 790' ' ' ILE . 16.4 mm-40 -70.98 -40.45 71.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 112.957 -1.929 . . . . 74.24 109.578 -173.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.651 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -68.3 -62.78 1.24 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.935 -1.029 . . . . 72.32 110.011 -177.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . 0.534 ' HB3' ' O ' ' C' ' 792' ' ' LEU . 7.1 tt0 -55.2 -40.55 70.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.504 0.722 . . . . 73.41 110.665 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.6 -34.71 90.67 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.89 0.744 . . . . 53.54 113.142 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -65.39 -51.15 62.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.913 0.885 . . . . 74.03 110.328 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.539 HD21 HD13 ' C' ' 773' ' ' ILE . 3.9 mm? -60.09 -48.51 81.4 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 115.882 -0.599 . . . . 74.22 110.673 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -50.62 -46.21 58.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.016 1.326 . . . . 65.43 110.727 176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.68 -56.07 26.97 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.074 0.859 . . . . 74.14 110.499 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.6 mmtt -58.33 -31.14 67.28 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.963 0.727 . . . . 75.15 112.963 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 92.0 t -72.76 -45.89 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 122.566 0.346 . . . . 75.52 110.105 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.72 -23.02 66.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.248 0.619 . . . . 72.43 111.605 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.38 2.51 52.46 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.128 0.971 . . . . 74.31 111.6 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 15.17 5.88 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 125.246 1.418 . . . . 74.41 111.707 -175.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.47 -18.19 27.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.63 1.172 . . . . 75.43 111.251 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.604 ' HG ' HD23 ' C' ' 817' ' ' LEU . 0.8 OUTLIER -147.16 134.76 20.99 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 107.847 -1.168 . . . . 72.32 107.847 -175.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.38 149.37 8.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.97 0.89 . . . . 74.2 111.115 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.81 108.64 17.02 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 113.236 -1.802 . . . . 75.14 107.646 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 32.2 t -84.92 -147.33 0.1 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.243 -1.021 . . . . 74.32 108.243 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.09 77.57 0.94 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.226 0.921 . . . . 73.34 110.664 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.88 14.85 81.25 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.75 -0.659 . . . . 64.41 113.842 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 146.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 123.0 0.52 . . . . 75.3 110.728 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.87 143.31 29.32 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 123.983 0.913 . . . . 74.51 111.97 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.402 ' O ' HD23 ' C' ' 808' ' ' LEU . 27.9 ptt180 -160.36 158.72 30.13 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.939 -1.028 . . . . 75.03 110.116 170.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.604 HD23 ' HG ' ' C' ' 808' ' ' LEU . 96.4 mt -82.28 133.4 50.62 Favored Pre-proline 0 N--CA 1.474 0.766 0 CA-C-O 119.704 -0.189 . . . . 75.33 111.426 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.07 111.84 3.36 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.75 2.3 . . . . 71.54 111.059 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -98.96 -13.61 19.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 122.905 0.482 . . . . 71.23 110.703 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -163.05 -56.9 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.72 0.808 . . . . 75.15 110.62 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 63.5 m 58.58 178.51 0.07 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.298 1.439 . . . . 72.45 111.995 -169.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.562 1.44 0 CA-C-O 117.798 -1.096 . . . . 70.03 109.931 -175.6 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 112.442 -0.263 . . . . 51.3 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -124.06 156.72 36.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.851 0.861 . . . . 74.53 109.539 -175.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -89.29 165.78 14.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.115 0.483 . . . . 71.53 110.466 -176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -139.05 147.22 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 124.079 0.952 . . . . 74.34 109.818 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 14.6 m-85 -110.6 108.47 18.42 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.446 -1.316 . . . . 71.44 107.446 165.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.75 114.83 42.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 108.569 -0.9 . . . . 73.32 108.569 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -87.74 99.69 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.82 -1.082 . . . . 70.2 108.888 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -93.07 116.31 28.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.14 -0.936 . . . . 73.02 108.512 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.68 141.2 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.748 0.819 . . . . 74.41 110.897 -171.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -133.73 85.0 2.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.068 0.947 . . . . 71.22 109.217 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.472 ' HA ' ' O ' ' B' ' 107' ' ' THR . 30.8 t-105 -92.14 106.17 18.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.642 -0.873 . . . . 73.11 108.642 172.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -162.24 154.89 19.7 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 115.042 -0.981 . . . . 62.24 110.362 -170.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 92.4 m -74.97 138.2 42.12 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.744 1.218 . . . . 64.35 111.471 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mm -109.07 112.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 108.866 -0.79 . . . . 73.31 108.866 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.468 HG21 ' CD1' ' B' ' 104' ' ' PHE . 28.5 p -84.09 115.9 22.61 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.597 -0.52 . . . . 72.44 109.597 173.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 154.81 42.58 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 120.733 0.302 . . . . 75.52 110.836 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 136.84 35.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.09 0.956 . . . . 71.04 109.127 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' HE1' ' B' ' 101' ' ' MET . 7.6 p -132.57 162.45 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 122.919 0.488 . . . . 64.34 110.306 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -100.47 138.18 20.11 Favored Pre-proline 0 C--N 1.346 0.442 0 C-N-CA 123.968 0.907 . . . . 73.44 109.822 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -65.16 -33.4 49.8 Favored 'Trans proline' 0 C--N 1.366 1.482 0 C-N-CA 122.702 2.268 . . . . 72.41 112.476 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -91.76 -0.79 57.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.995 0.518 . . . . 75.32 111.739 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -90.96 165.07 13.75 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 108.937 -0.764 . . . . 64.34 108.937 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 10.6 p -83.42 161.26 21.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.158 0.583 . . . . 73.3 111.851 176.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.587 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 33.3 mm -62.36 -25.19 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.841 1.257 . . . . 73.01 110.499 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 5.9 tp10 -44.68 -40.16 5.69 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.479 1.512 . . . . 74.54 111.234 168.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.3 t-20 -53.27 -59.5 4.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.743 0.817 . . . . 74.31 110.264 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.34 -52.81 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.267 0.979 . . . . 73.53 110.575 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -67.91 -30.85 70.27 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.412 -0.813 . . . . 75.14 112.013 -175.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.35 65.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.325 0.25 . . . . 75.2 111.173 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.7 mmpt? -72.91 -39.52 66.25 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.533 0.333 . . . . 74.43 111.052 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.555 ' HB ' HD11 ' A' ' 36' ' ' ILE . 17.1 pt -74.68 -29.09 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 CA-C-N 117.56 0.164 . . . . 73.54 110.58 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.69 -34.94 74.63 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.763 0.316 . . . . 74.42 110.94 170.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.42 -49.39 55.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.429 0.692 . . . . 70.04 110.738 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 9.9 mtmp? -87.74 -58.81 2.44 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.177 -0.919 . . . . 75.41 111.888 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -87.92 -14.05 40.3 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 122.257 -0.277 . . . . 70.2 111.403 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.66 33.92 45.59 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.166 0.291 . . . . 61.34 113.519 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.555 HD11 ' HB ' ' A' ' 30' ' ' ILE . 51.2 mt -88.04 123.95 67.79 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.464 0.706 . . . . 73.44 110.244 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.0 Cg_endo -80.81 105.12 1.64 Allowed 'Trans proline' 0 CA--C 1.561 1.826 0 C-N-CA 122.672 2.248 . . . . 73.21 111.212 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 43.1 Cg_endo -64.0 -27.46 66.15 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.53 2.82 . . . . 70.22 113.496 -170.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.29 -43.39 61.63 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.802 1.241 . . . . 74.02 111.469 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 5.3 pt20 -112.22 26.36 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.689 0.796 . . . . 75.45 110.241 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.46 118.12 22.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.162 0.985 . . . . 74.33 110.304 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.614 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.9 97.74 8.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.28 1.432 . . . . 71.22 109.457 175.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.85 114.22 18.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.216 -1.401 . . . . 72.5 107.216 170.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.53 HG12 ' HG2' ' A' ' 49' ' ' GLN . 37.9 mt -124.24 139.61 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 118.962 0.801 . . . . 73.25 110.87 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CD2' HD11 ' A' ' 61' ' ' ILE . 1.1 t80 -126.97 101.67 6.66 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 125.435 1.494 . . . . 73.2 108.097 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.56 32.97 21.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.797 0.686 . . . . 44.22 112.254 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.49 6.94 58.32 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 115.068 0.787 . . . . 54.42 115.068 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -114.71 113.07 23.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.163 0.585 . . . . 74.32 109.789 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.53 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.5 mt-30 -73.34 110.35 7.56 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.765 -0.828 . . . . 72.41 108.765 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.8 101.52 2.62 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.657 0.783 . . . . 73.11 110.449 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 128.21 33.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 107.804 -1.184 . . . . 73.44 107.804 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.587 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.0 p-10 -56.66 -28.6 61.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.603 1.561 . . . . 73.12 114.368 -164.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.89 -18.38 74.29 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.797 -0.638 . . . . 75.42 114.161 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.79 174.72 9.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 117.497 0.648 . . . . 63.43 110.028 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 16.4 m -97.36 160.12 14.52 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.03 0.932 . . . . 75.33 109.631 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.53 -51.64 66.6 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.283 0.563 . . . . 74.45 110.256 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.67 -22.75 67.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.21 0.604 . . . . 75.43 112.083 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 55' ' ' THR . 22.4 t70 -56.51 -33.89 66.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.869 0.868 . . . . 75.25 111.173 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.74 -3.2 33.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.124 0.569 . . . . 71.35 111.637 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 t30 58.16 63.62 1.71 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.723 0.773 . . . . 72.34 109.503 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.444 HD11 ' CD2' ' A' ' 45' ' ' PHE . 2.5 mm -77.17 108.62 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.13 -0.941 . . . . 74.55 108.73 177.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -84.92 -173.67 4.85 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.026 -0.534 . . . . 75.2 110.228 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 4.6 ttmp? -81.66 148.2 29.15 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.855 0.462 . . . . 75.42 109.82 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.551 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 39.9 mt-10 58.68 27.7 16.21 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.026 1.331 . . . . 72.52 112.724 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.423 ' HB2' HG21 ' B' ' 103' ' ' ILE . 53.9 m -62.43 115.13 3.96 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 123.23 0.612 . . . . 73.35 110.396 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.38 9.23 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.994 0.426 . . . . 71.43 110.245 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.515 HD22 HG22 ' B' ' 105' ' ' VAL . 0.3 OUTLIER -89.29 157.99 18.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.522 0.729 . . . . 73.1 109.673 178.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -125.06 129.84 73.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.828 0 CA-C-O 121.237 0.541 . . . . 63.43 110.081 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' B' ' 107' ' ' THR . 95.9 mt -100.05 105.61 17.28 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.148 -0.933 . . . . 73.52 109.989 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 90.0 mt -97.66 113.83 25.66 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.473 -0.936 . . . . 73.25 108.473 173.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 tp -74.75 168.01 20.7 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 118.789 0.722 . . . . 74.33 109.418 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 1.1 m -29.9 113.38 0.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.965 2.106 . . . . 75.22 115.075 -169.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -160.66 -77.74 0.06 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.607 0.763 . . . . 75.13 108.984 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 123.667 0.787 . . . . 75.43 108.919 177.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.634 -0.586 . . . . 73.14 111.634 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.423 ' HE1' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -134.41 163.02 30.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.102 0.561 . . . . 75.45 110.203 179.127 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -95.5 153.21 17.81 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.76 -1.2 . . . . 65.43 107.76 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.423 HG21 ' HB2' ' A' ' 65' ' ' SER . 27.0 pt -144.13 147.46 19.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 C-N-CA 123.02 0.528 . . . . 73.53 110.091 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.468 ' CD1' HG21 ' A' ' 14' ' ' THR . 12.5 m-30 -106.43 100.45 9.97 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.154 -1.054 . . . . 74.21 108.154 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.515 HG22 HD22 ' A' ' 67' ' ' LEU . 47.9 t -101.6 103.18 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 108.347 -0.983 . . . . 75.01 108.347 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 6.3 t0 -83.59 124.45 30.8 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.99 -0.745 . . . . 74.11 108.99 -172.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.54 ' HB ' HD13 ' A' ' 69' ' ' LEU . 10.2 t -122.71 144.27 49.26 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.762 0.825 . . . . 74.05 110.759 -172.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.44 109.27 27.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.855 -0.795 . . . . 73.13 108.855 162.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 87.46 4.39 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.037 -1.468 . . . . 73.12 107.037 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -98.16 142.14 30.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.171 0.988 . . . . 72.15 109.834 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.88 149.69 16.53 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.091 -0.959 . . . . 74.14 109.68 167.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.1 m -102.99 126.97 50.39 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.391 0.676 . . . . 73.44 109.536 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -106.15 137.01 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 107.618 -1.253 . . . . 71.43 107.618 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.7 m -111.65 124.1 51.61 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.884 -0.414 . . . . 74.03 109.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 169.24 17.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.01 0.524 . . . . 75.11 110.594 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -112.93 144.21 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.6 -0.889 . . . . 75.51 108.6 170.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.68 -178.11 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 N-CA-C 108.915 -0.772 . . . . 71.24 108.915 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.43 149.74 72.42 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 108.84 -0.8 . . . . 75.13 108.84 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 -34.81 98.61 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.061 2.508 . . . . 73.44 112.481 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.5 m -78.24 -9.23 59.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.198 -0.91 . . . . 74.43 111.939 -175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.62 170.86 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.303 0.573 . . . . 74.53 110.687 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -110.36 155.79 21.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.92 -1.036 . . . . 73.2 111.258 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.78 -23.88 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 113.986 -1.461 . . . . 74.01 111.575 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.3 pt-20 -54.11 -35.17 61.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.567 0.747 . . . . 70.53 111.201 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -66.24 -47.57 73.35 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.659 0.784 . . . . 75.12 110.71 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.92 -46.98 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.394 0.678 . . . . 75.31 110.422 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.446 ' HZ2' ' HB2' ' B' ' 152' ' ' ASP . 55.8 pttt -68.39 -36.67 79.48 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.812 -0.631 . . . . 75.24 111.04 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.14 79.88 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.667 0.387 . . . . 74.42 110.764 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.64 -37.06 60.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.331 0.652 . . . . 75.24 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -68.59 -34.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.602 0.637 . . . . 73.33 109.583 173.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.3 -40.21 89.85 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.761 0.424 . . . . 74.34 111.163 172.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.5 -51.35 52.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 71.31 111.371 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -89.64 -53.93 4.3 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.829 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.5 -8.97 49.0 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.194 -169.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.8 73.53 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 123.322 0.389 . . . . 61.33 113.256 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.44 HG22 ' HG3' ' B' ' 141' ' ' GLN . 73.4 mt -85.56 127.1 64.54 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 124.052 0.941 . . . . 74.14 110.833 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.49 107.4 1.21 Allowed 'Trans proline' 0 CA--C 1.56 1.812 0 C-N-CA 122.521 2.147 . . . . 74.11 110.9 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 44.9 Cg_endo -63.36 -39.28 38.21 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.501 2.8 . . . . 74.24 114.444 -165.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 -29.46 28.83 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.422 0.689 . . . . 71.53 110.962 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -20.12 57.19 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.408 1.083 . . . . 73.35 110.503 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.487 ' OE1' ' HA ' ' B' ' 171' ' ' LEU . 15.2 mm-40 -117.81 98.59 6.43 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.951 -0.759 . . . . 73.51 108.951 175.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' B' ' 173' ' ' LEU . 3.9 mpt_? -77.59 104.9 8.39 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.128 -0.693 . . . . 74.31 109.128 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 126.5 28.81 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 114.874 -1.057 . . . . 72.33 108.892 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . 0.737 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 25.3 t70 -113.39 151.43 31.31 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.87 1.268 . . . . 72.05 110.847 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.446 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 10.3 t80 -142.26 107.31 4.94 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.98 0.912 . . . . 75.12 109.341 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.92 24.52 14.61 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.295 1.038 . . . . 73.31 112.803 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.33 5.91 60.24 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.187 -0.229 . . . . 60.14 113.569 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -129.65 117.81 20.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.397 -0.964 . . . . 75.02 108.397 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.737 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 0.0 OUTLIER -71.29 152.7 43.01 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.813 0.339 . . . . 75.24 110.842 -178.1 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.683 HD23 HD22 ' B' ' 167' ' ' LEU . 1.6 mm? -86.37 109.74 19.22 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.415 -0.958 . . . . 74.01 108.415 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.644 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 4.8 tt0 -56.18 132.29 50.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.881 -0.785 . . . . 72.44 108.881 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.446 ' HB2' ' HZ2' ' B' ' 127' ' ' LYS . 10.8 p-10 -60.99 -31.31 70.92 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.167 0.987 . . . . 74.33 112.731 -168.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.06 12.33 57.4 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.313 -0.403 . . . . 33.31 113.394 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.644 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 7.2 tpt180 -85.54 175.1 8.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.083 0.553 . . . . 64.22 110.305 -173.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -102.18 152.29 21.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.535 0.734 . . . . 62.25 110.042 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.65 -42.02 95.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.091 0.556 . . . . 74.54 110.714 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -68.34 -24.88 64.87 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.346 -0.843 . . . . 73.14 111.735 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.57 -30.81 67.45 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.267 0.627 . . . . 75.03 111.132 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.529 ' HB2' HG13 ' B' ' 161' ' ' ILE . 89.2 m-85 -100.52 -7.25 24.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.05 0.54 . . . . 74.02 110.441 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.2 t30 49.82 58.94 4.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.966 1.307 . . . . 73.32 110.121 -168.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.529 HG13 ' HB2' ' B' ' 159' ' ' TYR . 9.2 mt -71.71 120.49 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 114.604 -1.18 . . . . 74.12 110.031 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . 0.403 ' NE2' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -100.2 162.15 13.15 Favored 'General case' 0 C--O 1.262 1.76 0 CA-C-N 115.49 -0.777 . . . . 71.1 109.737 178.339 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -53.52 138.28 34.31 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.547 -1.206 . . . . 74.42 110.394 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . 0.492 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 pt-20 70.8 16.2 6.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.701 1.601 . . . . 75.11 112.73 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.403 ' HB3' ' NE2' ' B' ' 162' ' ' GLN . 37.5 p -51.18 125.84 15.05 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 123.351 0.407 . . . . 53.2 110.649 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.03 108.95 21.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.698 0.399 . . . . 72.13 110.003 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.683 HD22 HD23 ' B' ' 150' ' ' LEU . 1.0 OUTLIER -115.8 149.96 37.71 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.324 -1.361 . . . . 74.04 107.324 -177.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.86 140.33 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 119.719 1.145 . . . . 74.43 110.805 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.403 HD23 HG21 ' B' ' 136' ' ' ILE . 9.3 mp -70.51 132.74 45.98 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.536 0.335 . . . . 64.14 110.451 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.68 147.65 31.59 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 107.988 -1.116 . . . . 62.03 107.988 165.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.487 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 7.6 mp -70.21 155.39 40.71 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 118.636 -0.697 . . . . 74.02 109.414 172.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 9.0 t -37.14 90.91 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 122.685 1.231 . . . . 63.21 114.279 -176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.443 ' H ' ' HD3' ' B' ' 142' ' ' ARG . 60.0 tp -153.77 127.16 8.57 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 113.844 -1.525 . . . . 74.11 108.603 175.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 CA--C 1.558 1.251 0 C-N-CA 124.081 0.953 . . . . 75.24 108.698 179.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 CA-C-O 120.008 -0.329 . . . . 74.14 112.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 31.4 p -162.58 104.96 1.08 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.769 0.828 . . . . 72.32 109.864 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.26 130.92 37.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.826 0.85 . . . . 74.44 109.265 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.4 m -79.74 -35.01 39.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.139 0.575 . . . . 71.45 109.907 177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.7 95.25 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.175 1.39 . . . . 64.22 110.23 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 48.3 t -84.51 172.23 11.84 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.429 -0.805 . . . . 74.32 110.686 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 114.1 62.29 0.41 Allowed Glycine 0 C--N 1.341 0.809 0 N-CA-C 110.177 -1.169 . . . . 73.31 110.177 -171.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 82.5 mmm -122.91 -74.6 0.61 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.683 0.793 . . . . 75.03 110.676 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -92.5 -17.99 23.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.572 0.749 . . . . 71.02 112.377 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 40.8 m 68.68 9.99 7.64 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.189 1.396 . . . . 73.31 113.342 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . 0.436 ' HG2' ' HE3' ' C' ' 747' ' ' LYS . 5.9 tt0 -148.39 -54.65 0.2 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.945 0.498 . . . . 74.43 109.889 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.19 65.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.329 -0.85 . . . . 72.23 110.764 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.44 -50.1 74.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.893 1.277 . . . . 73.31 110.527 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -62.26 -58.58 7.22 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 115.325 -0.852 . . . . 75.05 110.677 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.436 ' HE3' ' HG2' ' C' ' 743' ' ' GLN . 15.1 ptpt -63.81 -39.85 95.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 114.584 -1.189 . . . . 75.24 111.753 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.9 -49.5 73.23 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 123.765 0.665 . . . . 74.12 110.876 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.4 -21.62 59.55 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.79 0.681 . . . . 75.51 111.486 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.01 -49.27 73.08 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.785 -0.82 . . . . 71.23 108.785 167.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 43.4 mt -66.38 -33.8 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.89 0.744 . . . . 74.25 111.3 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.27 -36.44 71.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.324 -0.991 . . . . 74.51 108.324 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -49.54 65.62 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.551 0.741 . . . . 74.24 110.132 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.486 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 28.3 m-85 -55.83 -39.64 71.7 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.551 0.74 . . . . 75.51 109.973 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.477 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 4.9 t-105 -67.33 -40.64 85.93 Favored 'General case' 0 C--O 1.197 -1.693 0 CA-C-N 114.164 -1.38 . . . . 75.24 110.202 177.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 42.3 m -64.73 -35.36 80.81 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.838 0.744 . . . . 61.14 110.555 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.486 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 37.5 m-85 -61.39 -61.86 2.24 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 122.916 0.486 . . . . 75.33 110.144 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.519 HD11 HD12 ' C' ' 777' ' ' LEU . 50.3 mt -62.74 -37.23 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.922 0.764 . . . . 72.02 111.154 -176.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . 0.45 ' HA ' HD11 ' C' ' 817' ' ' LEU . 8.0 tt0 -68.37 -54.84 14.57 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.093 0.557 . . . . 74.32 109.816 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -73.01 -27.31 61.71 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.484 -0.78 . . . . 74.44 112.305 -172.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.1 ptm -70.34 -50.36 39.9 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.42 -0.956 . . . . 74.43 108.42 170.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' C' ' 816' ' ' ARG . 15.1 mt -68.39 -13.11 62.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.349 0.66 . . . . 74.14 112.749 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.9 m -73.11 -22.93 60.46 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.67 0.788 . . . . 74.42 110.659 173.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -107.88 -68.02 0.93 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.24 -0.652 . . . . 64.44 109.24 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.586 HD13 HD22 ' C' ' 768' ' ' LEU . 0.4 OUTLIER -86.66 68.86 10.27 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.313 1.054 . . . . 74.41 108.892 -177.088 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.531 ' HB2' ' HG3' ' C' ' 816' ' ' ARG . 12.6 pt-20 -74.56 78.13 1.97 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.053 -1.431 . . . . 74.44 111.245 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 18.6 m 157.52 117.76 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 128.4 2.68 . . . . 72.33 108.464 168.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.586 HD22 HD13 ' C' ' 765' ' ' LEU . 1.0 OUTLIER -162.93 159.42 23.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.014 0.925 . . . . 72.42 109.989 176.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 769' ' ' SER . . . . . 0.446 ' OG ' ' HG3' ' C' ' 772' ' ' ARG . 78.9 p -80.97 156.68 25.83 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 120.969 0.414 . . . . 73.34 110.034 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.514 HD12 ' HG ' ' C' ' 799' ' ' LEU . 7.2 tp -58.46 -33.39 69.69 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.941 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.28 -41.45 88.94 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.318 1.047 . . . . 74.13 111.351 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.446 ' HG3' ' OG ' ' C' ' 769' ' ' SER . 61.2 mtp180 -62.52 -59.64 4.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.283 -0.872 . . . . 75.52 110.551 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.74 -21.62 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 115.676 -0.693 . . . . 72.42 111.832 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.564 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 53.6 t80 -60.66 -54.38 46.0 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.817 -0.808 . . . . 62.23 108.817 169.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.5 -36.0 77.29 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 123.778 0.674 . . . . 72.11 111.547 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.41 -60.7 3.39 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.413 0.446 . . . . 72.3 110.189 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.519 HD12 HD11 ' C' ' 758' ' ' ILE . 8.4 mt -52.74 -34.23 51.76 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.656 0.783 . . . . 75.01 112.154 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.555 ' HA ' HG13 ' C' ' 781' ' ' VAL . 0.0 OUTLIER -65.18 -47.34 77.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.448 0.699 . . . . 75.11 111.238 177.806 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.7 tpt -50.96 -49.37 60.16 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.157 0.911 . . . . 70.13 110.368 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -74.88 -26.5 59.71 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 113.043 0.757 . . . . 74.01 113.043 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' C' ' 778' ' ' ARG . 4.5 p -89.68 -17.29 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.699 0.4 . . . . 74.52 111.338 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 -35.78 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 122.281 -0.262 . . . . 74.15 110.405 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.1 p -65.53 -27.16 68.26 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 111.859 0.318 . . . . 70.53 111.859 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.94 174.46 15.56 Favored Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.541 -1.024 . . . . 64.34 110.541 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.93 -33.46 15.89 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 121.954 1.77 . . . . 75.32 110.891 168.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' C' ' 781' ' ' VAL . . . 40.14 -87.23 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.502 1.921 . . . . 64.05 113.963 -171.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.07 37.3 4.08 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.657 0.783 . . . . 73.14 109.655 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 58.65 36.3 24.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.266 1.026 . . . . 43.03 111.239 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 74.65 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.197 1.799 . . . . 70.25 110.832 -169.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . . . . . . . . . 8.2 pt -81.42 172.32 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.21 1.004 . . . . 74.44 109.948 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -129.12 175.7 8.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.386 0.674 . . . . 73.22 110.099 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.08 -44.93 94.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.136 0.974 . . . . 74.23 111.792 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -62.83 -32.72 73.98 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.921 0.391 . . . . 65.11 110.445 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.26 -37.98 51.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.133 -0.94 . . . . 74.2 109.758 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.564 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.0 OUTLIER -70.37 -62.22 1.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.64 1.176 . . . . 74.5 109.103 -179.017 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -54.17 -46.38 72.32 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.995 0.918 . . . . 71.04 110.695 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.47 -43.15 77.18 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.984 0.803 . . . . 74.22 113.153 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.477 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 21.8 t80 -58.27 -55.2 38.09 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.318 1.047 . . . . 74.01 110.711 176.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.514 ' HG ' HD12 ' C' ' 770' ' ' LEU . 4.5 mm? -63.51 -49.65 72.73 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.789 -1.096 . . . . 73.21 111.885 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.13 -30.49 71.42 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.677 0.611 . . . . 74.31 110.041 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -55.58 31.68 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 108.623 -0.88 . . . . 74.41 108.623 171.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -53.31 -38.82 63.51 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.927 0.767 . . . . 75.34 112.583 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 50.0 t -65.77 -47.53 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.776 -0.453 . . . . 72.12 109.776 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -79.21 -5.21 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.491 0.716 . . . . 74.31 112.381 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -91.56 1.46 57.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.716 1.206 . . . . 73.5 110.876 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 12.1 7.07 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.618 1.567 . . . . 71.34 112.015 -173.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.77 -32.39 25.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.893 0.877 . . . . 74.32 110.718 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' C' ' 815' ' ' TYR . 60.8 tp -134.95 143.01 46.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.899 1.28 . . . . 75.14 109.009 -168.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . 0.448 HG21 ' O ' ' C' ' 816' ' ' ARG . 10.8 m -105.61 152.01 7.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 73.34 110.064 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.0 110.08 15.83 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.683 1.193 . . . . 74.41 108.18 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 20.8 t -85.63 -148.71 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.819 -1.178 . . . . 74.24 107.819 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.58 76.04 1.08 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.948 0.794 . . . . 62.25 111.097 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.74 81.89 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.698 -0.683 . . . . 75.24 113.348 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.92 153.38 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.049 0.539 . . . . 74.1 110.283 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . 0.499 ' HB3' HD13 ' C' ' 808' ' ' LEU . 46.9 m-85 -102.71 142.77 33.31 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.27 0.628 . . . . 72.43 110.943 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.556 ' HA ' HD22 ' C' ' 762' ' ' LEU . 50.8 ttt180 -145.68 136.7 24.64 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.102 1.361 . . . . 73.11 109.068 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' C' ' 759' ' ' GLN . 24.3 mt -87.84 128.61 53.55 Favored Pre-proline 0 N--CA 1.475 0.806 0 O-C-N 122.049 -0.407 . . . . 70.15 110.872 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . 0.425 ' HB2' ' O ' ' C' ' 820' ' ' ASN . 76.6 Cg_endo -82.15 138.17 9.95 Favored 'Trans proline' 0 C--N 1.369 1.631 0 C-N-CA 122.72 2.28 . . . . 75.21 110.634 167.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -75.93 -20.64 57.8 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.162 0.506 . . . . 73.42 110.664 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' C' ' 818' ' ' PRO . 2.7 p-10 -108.66 119.22 38.88 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.655 -1.609 . . . . 73.12 106.655 159.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 81.4 m -72.15 80.7 0.97 Allowed 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 121.303 0.573 . . . . 75.13 111.438 -173.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.288 1.435 . . . . 72.52 107.498 -179.177 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.731 -0.548 . . . . 51.22 111.731 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HE3' HG11 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -152.87 -177.95 6.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.064 0.945 . . . . 74.43 110.268 -175.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.434 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -135.53 134.33 39.33 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.142 -1.058 . . . . 75.24 108.142 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.74 156.74 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 109.27 -0.641 . . . . 74.13 109.27 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' HB3' HG21 ' B' ' 112' ' ' THR . 21.8 m-85 -95.96 128.37 42.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 73.02 109.158 170.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.572 HG23 ' HB ' ' B' ' 113' ' ' ILE . 3.0 m -110.28 106.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 108.537 -0.912 . . . . 71.34 108.537 172.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 14.3 m-20 -78.59 99.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.161 1.384 . . . . 75.34 109.663 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.666 HG23 HD22 ' B' ' 169' ' ' LEU . 40.7 p -87.71 102.46 14.66 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 174.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.9 119.03 48.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 122.088 0.946 . . . . 70.32 109.247 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.695 ' HB3' ' HG3' ' B' ' 109' ' ' GLN . 28.8 tt0 -95.02 97.27 9.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.4 -1.273 . . . . 74.23 108.092 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.497 ' HH2' HD11 ' A' ' 68' ' ' ILE . 5.4 t-105 -118.12 98.16 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 106.494 -1.669 . . . . 73.11 106.494 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -164.55 156.28 15.85 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.861 1.06 . . . . 74.33 113.861 -172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 27.4 m -76.79 130.01 37.07 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.452 1.101 . . . . 74.52 110.877 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mm -113.05 111.93 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.667 -0.864 . . . . 75.11 108.667 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.7 m -83.76 119.5 24.89 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.676 -0.861 . . . . 74.12 108.676 174.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 HG22 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -144.23 153.45 42.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.521 0.329 . . . . 74.43 111.204 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 2.0 tm-20 -84.09 143.23 29.85 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.006 0.922 . . . . 73.41 108.699 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.532 HG13 ' HE2' ' B' ' 101' ' ' MET . 9.1 p -150.99 155.31 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.199 0.6 . . . . 74.04 109.628 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.69 147.18 35.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.474 0.709 . . . . 74.15 110.184 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.63 -34.21 64.17 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.691 2.261 . . . . 64.25 112.223 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 m -77.3 -12.39 59.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.724 0.81 . . . . 73.52 112.126 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.99 151.38 45.64 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.759 -0.46 . . . . 72.25 109.759 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.524 ' HG1' ' HG3' ' A' ' 24' ' ' GLU . 1.3 p -82.56 160.25 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.598 -0.728 . . . . 74.1 110.465 166.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 HD22 ' A' ' 56' ' ' LEU . 23.5 mm -66.28 -26.53 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.638 0.775 . . . . 72.15 110.098 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' ' HG1' ' A' ' 22' ' ' THR . 0.2 OUTLIER -62.17 -21.16 64.85 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.537 0.735 . . . . 74.01 111.299 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.432 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 63.0 m-80 -61.96 -60.82 3.06 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.874 0.734 . . . . 72.44 109.223 170.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -56.84 -36.0 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 123.813 0.845 . . . . 72.21 111.256 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HD2' ' HB3' ' A' ' 38' ' ' PRO . 36.2 ttpt -57.14 -53.41 58.39 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.742 1.217 . . . . 74.35 111.215 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -24.53 63.3 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.432 -0.803 . . . . 71.34 112.017 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 4.0 mptp? -70.02 -54.39 13.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.858 0.863 . . . . 74.45 109.648 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.443 HG23 HD22 ' A' ' 69' ' ' LEU . 2.7 pp -65.63 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 117.902 0.319 . . . . 70.3 110.872 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 9.0 tt0 -67.65 -35.28 78.6 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 115.815 -0.629 . . . . 74.13 110.615 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.22 -44.23 72.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.274 0.63 . . . . 71.24 110.472 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 73.1 mmtt -81.08 -71.36 0.47 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.995 -1.002 . . . . 70.11 111.138 -172.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.3 -25.17 36.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.505 0.722 . . . . 75.53 111.765 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.03 23.08 56.33 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 121.77 -0.252 . . . . 63.33 113.482 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD11 HD23 ' A' ' 69' ' ' LEU . 43.1 mt -73.36 125.13 90.98 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.562 0.745 . . . . 72.43 109.664 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.19 135.25 53.38 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 123.244 2.63 . . . . 73.44 112.329 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 6.2 Cg_endo -49.08 -44.33 33.33 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 124.367 3.378 . . . . 73.12 113.901 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.74 -26.91 62.66 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.251 -0.886 . . . . 65.03 112.331 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -102.65 26.37 8.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.215 0.606 . . . . 74.42 112.457 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.655 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 4.2 pt20 -131.54 163.47 27.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.593 0.711 . . . . 75.02 111.724 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 37.2 mtp85 -140.82 100.33 3.81 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 107.147 -1.427 . . . . 74.45 107.147 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.05 134.66 34.2 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.662 -0.866 . . . . 74.33 108.662 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG12 ' HG2' ' A' ' 49' ' ' GLN . 49.4 mt -134.94 138.8 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 121.065 0.459 . . . . 74.32 109.79 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.79 101.73 5.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.504 -0.924 . . . . 75.11 108.504 -171.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.59 40.67 31.73 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.1 0.875 . . . . 60.32 110.855 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 -2.27 78.76 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.067 -0.969 . . . . 73.44 115.499 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -97.96 120.03 37.63 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.239 1.019 . . . . 73.21 110.478 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.6 mt-30 -81.65 115.59 20.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 73.52 108.111 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.01 126.61 34.85 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 123.967 0.792 . . . . 74.25 111.781 -164.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -76.48 127.19 32.35 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 107.664 -1.235 . . . . 74.33 107.664 164.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 12.1 p-10 -61.95 -28.27 69.42 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.139 0.576 . . . . 73.34 111.37 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.91 -1.3 78.39 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.83 -0.623 . . . . 71.42 114.577 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.74 177.67 6.02 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.694 0.747 . . . . 75.42 109.876 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 27.4 m -106.69 157.34 17.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.592 0.757 . . . . 75.22 109.639 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' O ' HG12 ' A' ' 61' ' ' ILE . 2.6 mm? -59.6 -53.01 63.05 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 109.035 -0.728 . . . . 72.34 109.035 173.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 t -61.6 -22.24 65.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.628 0.771 . . . . 72.41 112.402 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.93 -33.48 71.95 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.599 0.759 . . . . 72.32 111.118 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.18 -2.92 35.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.674 -0.693 . . . . 72.42 111.218 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 60.3 65.58 1.06 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.964 0.906 . . . . 64.15 110.82 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.4 mm -77.64 107.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 114.988 -1.006 . . . . 73.25 109.577 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -85.97 -176.14 5.86 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.187 -0.915 . . . . 73.13 109.19 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.616 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.5 ttpp -92.5 155.24 17.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.159 0.584 . . . . 74.3 110.958 -177.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 56.13 41.47 29.45 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.744 1.217 . . . . 75.54 111.282 -173.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.4 m -99.72 129.72 45.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.178 0.591 . . . . 71.13 111.279 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' C' ' 779' ' ' MET . . . -85.16 102.3 13.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.501 0.667 . . . . 63.5 110.861 -176.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' HB3' HG23 ' B' ' 105' ' ' VAL . 3.6 tt -87.94 126.53 35.11 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 106.641 -1.614 . . . . 72.5 106.641 171.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' B' ' 106' ' ' ASP . 9.8 tp -97.43 126.93 50.17 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 108.786 -0.82 . . . . 73.4 108.786 172.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 36' ' ' ILE . 57.1 tp -98.5 105.17 17.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.439 -0.948 . . . . 74.42 108.439 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' C' ' 760' ' ' ALA . 74.6 mt -96.71 162.94 13.22 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.513 -0.921 . . . . 63.25 108.513 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.655 ' HA ' ' HA ' ' A' ' 41' ' ' GLN . 1.7 pt? -116.38 174.81 5.86 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 108.861 -0.792 . . . . 70.24 108.861 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.03 114.31 1.4 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 122.921 0.488 . . . . 72.11 111.849 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.568 ' HA ' HG21 ' C' ' 763' ' ' THR . 4.0 pp -75.4 -19.41 59.53 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.0 -1.0 . . . . 73.31 110.912 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.01 1.324 . . . . 75.51 108.392 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.67 -0.572 . . . . 62.22 111.67 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.532 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -144.13 149.67 36.89 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.81 0.844 . . . . 74.44 109.532 179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.616 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 10.7 mp0 -108.93 125.0 51.56 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.418 -1.327 . . . . 73.23 107.418 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 39.6 pt -118.23 166.67 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.347 0.659 . . . . 73.53 110.887 -173.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 12.4 m-85 -113.42 101.53 9.46 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.756 0.822 . . . . 74.51 108.968 -176.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.459 HG22 HD12 ' A' ' 15' ' ' LEU . 57.3 t -96.7 105.19 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.908 -0.775 . . . . 71.43 108.908 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.557 ' HB3' HD13 ' A' ' 68' ' ' ILE . 3.0 t70 -78.44 103.06 8.14 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.119 -1.067 . . . . 72.51 108.119 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.7 t -91.73 145.23 24.75 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 114.631 -1.168 . . . . 75.35 112.164 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 36.4 t -120.05 120.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 125.374 1.671 . . . . 74.25 109.508 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.695 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -142.9 150.19 39.46 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.899 -0.778 . . . . 75.32 108.899 160.52 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . 0.487 ' HB2' HD22 ' C' ' 764' ' ' ASN . 10.8 t-105 -126.43 135.19 51.08 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 107.301 -1.37 . . . . 72.25 107.301 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.413 ' HB3' ' HG1' ' A' ' 7' ' ' THR . 87.1 tttt -139.81 125.29 19.13 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.732 0.645 . . . . 75.01 109.414 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 4' ' ' PHE . 57.9 m -94.46 116.36 28.71 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.261 0.625 . . . . 75.11 109.406 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.572 ' HB ' HG23 ' A' ' 5' ' ' VAL . 14.0 mt -101.72 163.09 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 73.1 108.565 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 18.3 p -122.82 132.23 54.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.067 0.947 . . . . 72.42 109.661 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.444 HD12 ' HD3' ' B' ' 129' ' ' LYS . 2.5 pt? -133.34 164.99 25.88 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.591 -0.892 . . . . 75.42 108.591 171.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 33.2 mt-10 -114.9 151.47 33.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.33 1.052 . . . . 72.24 109.032 169.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.432 HG11 ' HE3' ' A' ' 1' ' ' MET . 6.6 p -156.46 171.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.43 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -109.91 151.25 42.3 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 123.39 0.676 . . . . 71.53 110.152 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.08 -35.83 32.13 Favored 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 122.549 2.166 . . . . 71.13 112.728 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.8 -8.61 59.71 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.499 0.32 . . . . 75.13 111.141 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.408 ' HB3' HD21 ' B' ' 125' ' ' ASN . 38.3 m-20 -72.33 158.94 34.86 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.193 0.597 . . . . 71.2 110.25 177.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.4 p -91.34 162.72 14.48 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.356 0.662 . . . . 75.31 111.073 172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.56 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 34.0 mm -70.71 -20.38 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 CA-C-N 114.874 -1.057 . . . . 73.33 109.958 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.515 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 13.5 pt-20 -62.17 -30.61 71.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.927 0.491 . . . . 71.41 110.72 176.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.408 HD21 ' HB3' ' B' ' 121' ' ' ASP . 55.1 m-20 -69.8 -41.05 75.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.303 0.641 . . . . 60.34 110.121 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.74 -51.87 67.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 123.67 0.788 . . . . 72.21 109.911 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 60.3 pttt -64.13 -39.09 93.28 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.894 -0.593 . . . . 72.33 110.698 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.48 93.91 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 116.078 -0.51 . . . . 73.11 111.383 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.444 ' HD3' HD12 ' B' ' 115' ' ' LEU . 16.1 ptmt -78.27 -34.88 48.69 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.361 0.413 . . . . 74.52 111.754 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.518 ' HB ' HD12 ' B' ' 136' ' ' ILE . 23.3 pt -72.5 -30.16 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 110.072 -0.344 . . . . 74.21 110.072 174.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.55 -37.41 77.04 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.301 0.64 . . . . 74.15 110.903 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.73 -43.77 71.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.056 0.943 . . . . 71.33 111.477 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 -58.95 2.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.194 -0.912 . . . . 65.22 111.222 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.25 -15.17 26.14 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.522 0.329 . . . . 72.33 111.41 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.52 53.49 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.348 0.405 . . . . 75.41 112.557 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.518 HD12 ' HB ' ' B' ' 130' ' ' ILE . 97.3 mt -86.37 110.06 28.41 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.115 0.966 . . . . 71.34 109.532 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.97 118.9 4.54 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 C-N-CA 122.472 2.114 . . . . 72.53 109.81 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.56 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.7 Cg_endo -58.15 -36.3 97.99 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 123.631 2.887 . . . . 75.04 114.071 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.55 -29.07 62.21 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.414 -0.812 . . . . 73.31 110.022 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.722 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 0.0 OUTLIER -87.29 -22.7 24.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.361 0.665 . . . . 75.52 110.688 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 103.17 4.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.008 0.923 . . . . 72.44 108.985 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.494 HH11 ' N ' ' B' ' 173' ' ' LEU . 1.7 mpt_? -77.53 129.74 36.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 74.13 110.063 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.579 ' HB3' HD23 ' B' ' 167' ' ' LEU . 13.0 mt -85.61 125.67 33.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.889 -0.782 . . . . 75.34 108.889 -178.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.91 144.0 51.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.668 0.787 . . . . 74.32 109.984 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.501 ' HB2' HD22 ' B' ' 150' ' ' LEU . 0.1 OUTLIER -127.05 102.86 7.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.967 -1.123 . . . . 74.33 107.967 177.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 49.29 36.3 9.2 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.785 1.234 . . . . 75.31 113.315 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.71 16.06 43.74 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.996 -0.547 . . . . 65.32 114.318 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -121.23 119.12 31.37 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.918 -0.771 . . . . 75.34 108.918 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.38 136.59 55.01 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.308 -0.627 . . . . 74.13 109.308 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.501 HD22 ' HB2' ' B' ' 145' ' ' PHE . 66.7 mt -94.48 104.31 16.27 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.061 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.1 130.61 43.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.092 -0.958 . . . . 73.14 108.602 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.7 p-10 -67.38 -25.82 66.15 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.637 0.256 . . . . 74.13 111.223 -173.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -84.28 6.19 77.23 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.773 -0.649 . . . . 71.21 113.871 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.16 167.54 11.14 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.06 -1.089 . . . . 75.24 108.06 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 15.5 p -104.31 166.84 10.14 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.039 0.447 . . . . 74.31 110.99 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.536 ' HA ' HD13 ' B' ' 161' ' ' ILE . 3.2 mm? -69.85 -41.84 74.36 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.298 -0.865 . . . . 74.43 109.234 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.3 t -68.96 -24.33 64.24 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.852 -0.613 . . . . 64.21 111.437 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.21 -31.05 70.82 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.708 0.63 . . . . 75.24 110.54 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.515 ' HB2' HG13 ' B' ' 161' ' ' ILE . 95.2 m-85 -102.94 4.22 37.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.52 0.728 . . . . 74.44 111.203 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.8 t30 60.42 28.24 17.87 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.054 0.941 . . . . 73.31 111.294 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' B' ' 156' ' ' LEU . 99.4 mt -58.64 128.71 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.637 1.175 . . . . 75.3 110.997 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.02 174.5 9.95 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 122.117 0.961 . . . . 74.45 111.422 -172.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -59.53 141.26 55.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 114.358 -1.292 . . . . 75.11 110.177 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 55.45 23.39 5.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.121 2.169 . . . . 74.24 113.401 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 66.0 m -67.54 142.01 56.68 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 120.602 -0.439 . . . . 51.42 110.12 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.44 106.14 16.83 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.57 0.7 . . . . 75.33 110.74 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' B' ' 143' ' ' LEU . 4.8 tt -97.3 120.1 37.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.754 1.622 . . . . 74.53 107.261 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 17.9 pt -101.22 143.15 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.059 0.845 . . . . 72.33 110.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.666 HD22 HG23 ' A' ' 7' ' ' THR . 11.2 mp -101.1 122.3 43.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.02 -0.991 . . . . 72.32 109.134 175.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.61 158.73 15.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.232 -1.025 . . . . 74.44 108.232 170.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.89 166.01 20.41 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 110.204 -0.295 . . . . 75.44 110.204 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.722 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 4.5 t -47.6 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.346 1.058 . . . . 70.02 113.509 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.494 ' N ' HH11 ' B' ' 142' ' ' ARG . 0.4 OUTLIER -170.25 111.25 0.41 Allowed 'General case' 0 C--N 1.348 0.504 0 N-CA-C 106.868 -1.53 . . . . 72.11 106.868 172.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.252 1.233 0 N-CA-C 108.103 -1.073 . . . . 72.32 108.103 176.029 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.768 -0.533 . . . . 44.32 111.768 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 53.2 p -112.38 5.58 18.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.923 0.889 . . . . 75.4 110.087 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.36 140.66 58.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.1 0.96 . . . . 74.41 111.243 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 41.0 m -136.1 -33.66 0.82 Allowed 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.062 0.945 . . . . 64.35 110.456 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 8.4 t0 68.47 125.83 0.03 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.505 1.522 . . . . 61.51 111.266 -177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 58.1 m -139.8 13.76 2.49 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.742 0.817 . . . . 73.55 110.676 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -78.65 147.82 31.45 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.296 -0.411 . . . . 71.04 112.579 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -88.04 145.68 25.85 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 108.189 -1.041 . . . . 71.11 108.189 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 67.0 26.13 9.12 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.817 0.847 . . . . 73.01 110.623 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 48.1 t -64.0 -16.05 60.73 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.257 1.423 . . . . 75.32 112.668 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' C' ' 747' ' ' LYS . 28.8 tt0 -55.93 -40.26 72.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.386 0.674 . . . . 70.45 110.539 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.93 72.69 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.487 0.715 . . . . 61.01 111.3 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 7.7 m-20 -62.75 -52.44 63.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.3 1.0 . . . . 72.24 111.252 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 0.0 OUTLIER -59.28 -28.56 66.86 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.967 0.792 . . . . 74.35 111.923 -169.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' C' ' 743' ' ' GLN . 93.3 mttt -59.99 -61.59 2.5 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.0 0.813 . . . . 74.44 110.077 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.91 -41.71 96.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.692 1.245 . . . . 74.33 111.274 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 28.3 mm-40 -63.06 -41.25 99.41 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.442 0.639 . . . . 63.15 110.471 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' C' ' 746' ' ' GLN . 2.6 tp10 -66.32 -43.77 85.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 114.392 -1.276 . . . . 71.12 110.568 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.83 -26.67 66.17 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 124.272 0.982 . . . . 60.34 110.803 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -78.42 -34.42 47.96 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.604 -0.887 . . . . 74.25 108.604 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.28 -37.31 74.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.636 0.774 . . . . 73.45 109.529 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.46 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 14.0 m-85 -66.27 -37.92 86.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.3 -0.864 . . . . 74.44 109.746 173.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.518 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.8 t-105 -66.76 -37.78 85.29 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.479 -1.237 . . . . 75.45 109.828 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 72.5 m -62.82 -36.49 83.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.637 0.775 . . . . 74.23 110.571 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.46 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 21.5 m-85 -56.42 -61.79 2.17 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 123.375 0.422 . . . . 73.44 110.192 169.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.32 -31.1 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 O-C-N 124.526 1.141 . . . . 74.31 111.748 -171.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -66.43 -61.18 2.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.421 0.689 . . . . 64.41 109.796 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.478 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -71.4 -18.99 62.32 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.408 -1.269 . . . . 72.13 112.481 -170.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.491 ' HE1' ' SD ' ' C' ' 776' ' ' MET . 4.3 ppp? -85.79 -57.45 3.04 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 108.418 -0.956 . . . . 71.4 108.418 174.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' C' ' 816' ' ' ARG . 29.5 mt -69.47 -16.14 63.41 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 118.869 0.759 . . . . 74.43 112.998 -174.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 763' ' ' THR . . . . . 0.568 HG21 ' HA ' ' A' ' 73' ' ' LEU . 8.9 t -65.81 -22.57 66.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.135 0.574 . . . . 74.22 111.038 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . 0.487 HD22 ' HB2' ' B' ' 110' ' ' TRP . 4.8 t30 -113.72 -47.72 2.96 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.635 1.174 . . . . 75.12 109.379 174.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' C' ' 761' ' ' MET . 17.1 mt -81.04 59.71 3.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.179 1.392 . . . . 73.35 109.47 -178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' C' ' 816' ' ' ARG . 11.4 pt-20 -80.34 44.01 0.67 Allowed 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.91 1.284 . . . . 75.13 112.938 -171.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 35.5 m 178.6 86.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.44 1.496 . . . . 73.1 109.586 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' C' ' 772' ' ' ARG . 3.2 pp -164.99 154.65 13.16 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.722 0.773 . . . . 74.43 112.478 172.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 24.8 m -66.43 151.3 47.45 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.479 -1.237 . . . . 63.3 111.12 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.519 HD12 HD12 ' C' ' 795' ' ' LEU . 25.4 tp -47.39 -32.12 4.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.838 1.255 . . . . 74.32 112.239 168.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.56 -38.39 74.7 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.336 1.055 . . . . 73.14 112.362 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.501 ' HB2' HD13 ' C' ' 768' ' ' LEU . 0.0 OUTLIER -61.39 -58.05 9.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.966 0.506 . . . . 72.44 110.828 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.486 HD13 HD23 ' C' ' 799' ' ' LEU . 2.2 pp -68.43 -26.92 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.774 -0.648 . . . . 74.02 110.402 -176.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.629 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 73.3 t80 -63.51 -48.01 79.35 Favored 'General case' 0 C--N 1.366 1.302 0 N-CA-C 109.045 -0.724 . . . . 75.13 109.045 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.0 -37.17 86.44 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 123.802 0.689 . . . . 72.11 111.569 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.491 ' SD ' ' HE1' ' C' ' 761' ' ' MET . 86.9 mtp -60.41 -61.6 2.48 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.607 0.567 . . . . 72.33 110.002 173.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.77 -36.54 67.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.657 0.783 . . . . 73.31 111.74 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.455 ' O ' HG11 ' C' ' 781' ' ' VAL . 8.6 tpt180 -68.54 -46.86 68.4 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.154 0.982 . . . . 74.12 110.501 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 779' ' ' MET . . . . . 0.44 ' HE2' ' HB3' ' A' ' 66' ' ' ALA . 1.8 tpt -53.01 -57.53 10.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.141 0.576 . . . . 74.44 109.926 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -75.03 -16.43 60.6 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.63 0.604 . . . . 75.23 112.63 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.59 HG12 HG12 ' C' ' 790' ' ' ILE . 3.0 p -82.09 -39.72 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 117.838 0.29 . . . . 64.22 110.338 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.67 -30.79 9.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 116.748 -0.206 . . . . 70.3 111.485 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.8 p -73.22 -19.89 60.98 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.192 0.442 . . . . 74.12 112.192 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -125.12 -173.77 13.78 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 115.58 -0.736 . . . . 72.15 112.018 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.01 6.1 5.91 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.893 2.395 . . . . 72.24 113.113 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.01 100.05 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.516 1.526 . . . . 73.54 112.042 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 6.1 mp 52.9 20.77 1.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.318 1.047 . . . . 75.24 112.332 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.95 -79.32 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.318 1.047 . . . . 74.45 110.095 -167.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -153.78 112.93 3.74 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.493 1.117 . . . . 72.23 108.112 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.59 HG12 HG12 ' C' ' 781' ' ' VAL . 14.5 pt -73.03 163.35 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.237 0.541 . . . . 73.41 110.521 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -126.26 172.82 9.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.105 -0.952 . . . . 73.23 109.747 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.03 -40.03 87.93 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 118.416 -0.802 . . . . 75.32 112.587 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.04 -25.0 59.62 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.777 0.717 . . . . 73.11 111.692 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.82 -46.43 68.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.678 0.751 . . . . 74.41 109.729 171.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.629 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -69.05 -43.12 75.31 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.304 -1.317 . . . . 75.54 109.787 -176.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -65.0 -41.98 94.9 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.319 -1.31 . . . . 65.03 110.13 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.2 -36.4 92.33 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 124.527 1.142 . . . . 70.3 113.27 172.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.518 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 25.4 t80 -68.8 -46.34 68.93 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.11 0.564 . . . . 73.43 110.657 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.486 HD23 HD13 ' C' ' 773' ' ' ILE . 4.1 mm? -66.72 -36.09 81.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.425 0.69 . . . . 74.22 111.053 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 124.016 0.823 . . . . 73.52 109.395 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -56.63 -58.05 9.74 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 124.491 1.12 . . . . 65.44 110.195 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.44 -30.17 70.41 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.734 1.013 . . . . 74.11 113.734 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 64.9 t -72.98 -46.32 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 109.702 -0.481 . . . . 74.32 109.702 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -78.22 -8.97 58.98 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.81 0.444 . . . . 74.51 112.117 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.94 -0.97 57.68 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.1 1.36 . . . . 71.23 110.346 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.51 21.29 12.42 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.412 1.485 . . . . 74.22 111.54 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -101.56 -24.25 14.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.416 1.086 . . . . 75.43 111.822 -168.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.51 143.21 45.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.786 0.834 . . . . 75.12 108.904 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.24 121.98 57.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 108.832 -0.803 . . . . 75.54 108.832 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.42 108.57 21.08 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.465 -1.309 . . . . 75.35 107.465 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.663 ' HB3' HG12 ' C' ' 814' ' ' VAL . 32.4 t -82.19 -152.47 0.1 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 108.896 -0.779 . . . . 71.14 108.896 171.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.74 74.62 1.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 118.925 0.784 . . . . 73.41 111.757 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 68.46 30.28 73.19 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.772 -0.531 . . . . 63.43 111.772 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' C' ' 811' ' ' SER . 3.6 p -145.78 142.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.009 0.924 . . . . 73.34 108.979 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -100.83 151.15 22.06 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.248 0.547 . . . . 74.41 111.818 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.64 ' HA ' HD21 ' C' ' 762' ' ' LEU . 0.3 OUTLIER -162.83 158.42 22.66 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.319 -1.31 . . . . 74.11 109.756 173.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 39.6 mt -91.97 145.05 30.2 Favored Pre-proline 0 N--CA 1.481 1.087 0 O-C-N 122.256 -0.277 . . . . 74.43 111.642 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 157.32 43.96 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.844 2.363 . . . . 74.2 110.688 166.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.22 -22.33 41.91 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 109.723 -0.473 . . . . 73.24 109.723 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.48 139.7 14.48 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.529 1.132 . . . . 73.4 109.272 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 64.2 m -83.93 -25.87 29.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.271 0.628 . . . . 73.24 110.325 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.249 1.041 0 C-N-CA 125.044 1.338 . . . . 71.51 108.415 173.575 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.659 -0.576 . . . . 73.01 111.659 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 146.73 48.01 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.187 -0.671 . . . . 73.4 109.187 -174.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.599 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 1.9 mp0 -87.81 164.01 16.15 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.818 -0.628 . . . . 73.34 111.776 -168.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.83 150.34 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 107.933 -1.136 . . . . 74.23 107.933 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -110.35 111.37 22.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.113 -1.069 . . . . 74.31 108.113 171.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.547 HG21 HD22 ' B' ' 167' ' ' LEU . 85.2 t -89.59 97.74 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 108.198 -1.038 . . . . 73.13 108.198 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -81.14 99.2 8.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.81 0.844 . . . . 65.43 109.036 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.529 ' HB ' HD12 ' B' ' 169' ' ' LEU . 9.3 t -91.39 118.61 30.68 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.653 -0.703 . . . . 41.11 109.236 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 m -110.04 144.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 115.561 -0.745 . . . . 64.22 109.982 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 29.9 mm-40 -122.85 88.32 2.91 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.31 0.644 . . . . 71.43 110.856 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.538 ' HE3' HG21 ' B' ' 108' ' ' VAL . 51.4 t-105 -93.3 110.43 21.96 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.589 -1.263 . . . . 70.23 107.589 168.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS . 4.6 ttmp? -156.02 139.35 15.72 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.615 0.572 . . . . 74.44 110.385 -172.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -81.46 122.45 27.53 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.531 0.732 . . . . 73.13 110.238 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -94.23 113.66 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 109.089 -0.708 . . . . 72.5 109.089 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -84.05 112.83 20.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.242 -0.651 . . . . 73.45 109.242 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.56 167.75 19.46 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 109.043 -0.725 . . . . 64.24 109.043 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -111.49 142.85 43.23 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.348 0.594 . . . . 72.33 109.781 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.3 177.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.525 1.13 . . . . 74.45 108.897 169.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.25 156.31 76.86 Favored Pre-proline 0 N--CA 1.473 0.685 0 N-CA-C 108.046 -1.094 . . . . 72.54 108.046 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.97 -30.46 91.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 121.909 1.739 . . . . 74.14 112.398 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -72.78 -21.5 60.98 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.974 0.796 . . . . 71.34 111.957 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.38 153.87 41.59 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.789 0.436 . . . . 74.11 110.73 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.6 p -92.92 160.85 14.72 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.354 0.597 . . . . 72.1 110.47 169.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.581 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 17.8 mm -70.34 -25.24 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 114.528 -1.214 . . . . 75.54 110.195 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.82 -23.59 66.34 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.08 0.952 . . . . 72.33 111.473 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 90.6 m-20 -60.23 -59.01 6.09 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.94 0.775 . . . . 54.51 109.33 171.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 30' ' ' ILE . 60.6 t -57.06 -48.04 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 73.3 109.801 -178.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -52.14 -50.4 61.82 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.272 1.429 . . . . 75.34 110.999 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.11 -28.08 61.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.686 0.394 . . . . 74.23 111.824 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 9.7 mmpt? -70.62 -48.47 54.91 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.474 0.31 . . . . 75.24 110.267 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.499 ' HB ' HD13 ' A' ' 36' ' ' ILE . 10.2 pt -70.46 -32.67 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.533 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.98 -35.87 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.804 0.442 . . . . 64.34 111.121 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.12 -51.55 24.41 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.604 0.762 . . . . 74.23 110.51 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -82.67 -56.94 3.55 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.892 -1.049 . . . . 75.11 111.237 -171.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 1.8 mp0 -75.55 -27.89 58.82 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.689 0.396 . . . . 72.31 110.895 -177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.06 58.15 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 123.706 0.629 . . . . 62.12 112.027 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 HD13 ' HB ' ' A' ' 30' ' ' ILE . 21.9 pt -89.58 114.83 62.05 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.023 0.529 . . . . 73.41 110.392 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.82 134.61 44.38 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.586 2.19 . . . . 75.43 111.026 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.574 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 2.3 Cg_endo -47.05 -31.88 12.29 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 124.178 3.252 . . . . 72.42 113.128 166.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.13 -46.66 68.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 114.294 -1.321 . . . . 73.11 110.998 172.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -99.1 -3.19 35.21 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.844 1.257 . . . . 74.21 112.07 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.574 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 6.7 tt0 -96.06 108.88 21.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.266 1.427 . . . . 64.42 110.106 -175.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -108.86 74.1 0.89 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.09 -1.448 . . . . 74.31 107.09 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.95 115.93 22.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.262 0.625 . . . . 73.24 109.47 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.726 HG12 ' HG3' ' A' ' 49' ' ' GLN . 42.8 mt -119.94 138.99 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 121.269 0.556 . . . . 75.21 109.59 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 31.4 t80 -131.75 119.0 20.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 73.52 108.819 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.33 22.63 11.01 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.944 0.897 . . . . 65.22 112.745 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 92.34 12.95 57.98 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 116.158 -0.473 . . . . 72.32 113.752 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.09 125.74 27.03 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.248 0.619 . . . . 73.14 109.797 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.726 ' HG3' HG12 ' A' ' 44' ' ' ILE . 22.2 mp0 -74.66 130.37 39.4 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.422 0.689 . . . . 71.23 109.172 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 45' ' ' PHE . 17.7 mt -88.29 106.45 18.23 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.612 -0.722 . . . . 63.22 109.736 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 40.1 mt-10 -71.37 124.5 24.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.849 -1.167 . . . . 74.12 107.849 171.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 6.0 p-10 -63.46 -22.19 66.75 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.83 0.706 . . . . 70.14 112.422 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -2.72 63.86 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 116.03 -0.532 . . . . 73.44 114.274 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HD3' ' HB2' ' A' ' 51' ' ' GLU . 2.9 mpt_? -94.72 178.0 5.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.537 0.669 . . . . 72.11 109.544 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 m -112.58 158.0 20.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.322 . . . . 75.32 108.392 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.07 -37.01 85.51 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 72.23 109.46 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.4 -31.58 72.77 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.758 0.823 . . . . 73.41 112.259 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.79 -28.34 65.87 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.026 0.53 . . . . 64.41 111.232 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.39 -2.38 25.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.987 0.515 . . . . 75.24 111.599 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.58 43.49 22.48 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.151 0.907 . . . . 70.43 110.229 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.24 116.32 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.944 -1.025 . . . . 75.12 111.622 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.04 -178.64 7.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.844 -1.071 . . . . 74.51 110.707 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 37.8 ttmt -79.83 138.8 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.216 -0.661 . . . . 74.24 109.216 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 38.2 mt-10 62.89 30.49 16.54 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.016 1.326 . . . . 73.41 112.153 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.529 ' HB2' HG22 ' B' ' 103' ' ' ILE . 74.9 m -56.84 135.04 55.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.555 0.742 . . . . 74.41 110.968 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.41 113.87 27.36 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.743 0.701 . . . . 44.45 111.107 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -118.8 125.6 49.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.922 -1.14 . . . . 64.54 107.922 -176.443 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 tt -97.81 128.5 49.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.503 0.668 . . . . 75.03 109.554 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD21 ' H ' ' B' ' 108' ' ' VAL . 34.3 tp -87.04 115.27 24.31 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.097 -0.956 . . . . 75.12 108.594 170.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mp -100.73 126.09 47.24 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.691 -1.596 . . . . 75.05 106.691 170.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' B' ' 108' ' ' VAL . 4.1 mm? -81.32 170.89 15.46 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.472 -0.566 . . . . 71.14 109.472 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -38.43 96.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.562 0.745 . . . . 75.52 112.604 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 HD21 ' HA ' ' C' ' 760' ' ' ALA . 3.3 tm? -67.82 -57.2 6.69 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.361 -1.718 . . . . 71.33 106.361 166.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.641 ' HB2' ' HA ' ' C' ' 822' ' ' SER . 17.7 tpp180 . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 113.172 -1.831 . . . . 74.13 107.703 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 113.209 0.044 . . . . 72.51 113.209 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.58 156.27 17.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.132 0.573 . . . . 73.31 110.147 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.446 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 12.4 mm-40 -85.26 160.6 19.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.822 -0.436 . . . . 72.42 109.822 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 65' ' ' SER . 30.4 pt -147.17 149.71 15.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.001 0 C-N-CA 123.85 0.86 . . . . 71.13 108.964 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -112.33 102.67 10.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.343 1.057 . . . . 75.52 108.195 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.21 101.06 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 109.257 -0.646 . . . . 72.05 109.257 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.84 96.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.777 0.831 . . . . 74.32 109.187 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.415 ' HG1' ' HG2' ' A' ' 34' ' ' GLU . 5.9 t -92.09 144.36 25.52 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 123.573 0.749 . . . . 74.13 109.832 -177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.59 ' H ' HD21 ' A' ' 69' ' ' LEU . 1.8 t -120.17 140.98 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.177 -0.675 . . . . 73.03 109.177 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 71.5 mm-40 -132.34 159.32 39.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.45 0.7 . . . . 75.35 110.79 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -136.54 134.05 37.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.42 -1.326 . . . . 74.42 107.42 171.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.511 ' HB2' HG23 ' A' ' 7' ' ' THR . 75.4 mmtt -140.24 149.58 43.05 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.406 -1.331 . . . . 73.21 107.406 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 63.6 m -119.64 132.9 55.8 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.572 -0.529 . . . . 75.44 109.572 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.1 mm -110.59 125.0 67.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 107.134 -1.432 . . . . 64.34 107.134 176.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.3 m -103.47 127.23 50.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.833 0.742 . . . . 61.51 109.67 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.99 170.0 16.29 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.101 -1.074 . . . . 73.41 108.101 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.0 tt0 -124.01 145.28 49.31 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.201 -0.666 . . . . 75.41 109.201 170.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 p -134.38 171.08 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 122.93 0.492 . . . . 75.2 110.244 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.02 151.56 44.97 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.805 0.842 . . . . 72.52 109.181 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.36 -29.99 45.22 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.251 1.967 . . . . 73.4 112.458 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.4 m -78.06 -14.09 59.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.991 0.916 . . . . 73.53 112.618 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.85 159.73 30.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.888 0.375 . . . . 74.51 109.99 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.6 p -93.39 160.89 14.61 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.878 0.871 . . . . 73.34 110.683 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.499 HG22 ' HB3' ' B' ' 150' ' ' LEU . 39.9 mm -65.63 -28.04 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 114.636 -1.166 . . . . 74.33 110.729 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 17.1 pt-20 -59.74 -31.91 70.07 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.325 0.65 . . . . 60.4 111.316 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -63.17 -46.66 86.09 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.1 0.96 . . . . 64.4 110.041 173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.86 -48.13 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.869 0.867 . . . . 64.24 110.695 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.421 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.1 OUTLIER -68.8 -34.92 76.34 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.768 -0.196 . . . . 74.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.38 89.27 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.62 0.368 . . . . 72.42 111.238 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' B' ' 133' ' ' LYS . 17.1 ptpt -73.35 -41.45 63.43 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-O 118.567 -0.73 . . . . 73.41 111.289 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.18 -41.61 93.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 CA-C-N 119.156 0.889 . . . . 75.01 110.011 176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.11 -43.05 86.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.901 0.751 . . . . 72.2 111.045 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.37 -50.99 65.54 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.942 0.897 . . . . 64.42 111.354 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 73.1 mmtt -66.46 -62.8 1.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.41 -0.814 . . . . 74.32 111.258 -173.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.511 ' HB2' HG12 ' B' ' 136' ' ' ILE . 37.5 mt-10 -80.5 -46.83 15.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.582 0.23 . . . . 71.34 111.61 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.7 35.52 2.8 Favored Glycine 0 N--CA 1.476 1.328 0 N-CA-C 110.914 -0.874 . . . . 72.05 110.914 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.511 HG12 ' HB2' ' B' ' 134' ' ' GLU . 1.5 pt -105.93 100.29 27.23 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 125.488 1.515 . . . . 71.03 110.345 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.473 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 28.0 Cg_endo -64.54 117.6 4.65 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.552 2.168 . . . . 75.04 111.166 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.421 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 33.8 Cg_endo -61.8 -20.7 70.16 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.289 2.659 . . . . 74.1 112.79 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.25 -47.17 87.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.263 -1.335 . . . . 72.31 109.518 172.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.473 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -97.14 -3.29 41.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.882 1.273 . . . . 74.41 110.843 -177.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -128.42 101.52 6.24 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.139 -0.689 . . . . 74.2 109.139 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.697 ' HB3' HH11 ' B' ' 174' ' ' ARG . 0.8 OUTLIER -79.57 112.21 16.6 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.264 -0.643 . . . . 72.34 109.264 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.68 ' HB3' HD13 ' B' ' 167' ' ' LEU . 5.5 mp -75.82 139.7 41.89 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.577 -0.527 . . . . 74.34 109.577 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 148' ' ' LYS . 17.5 t70 -123.31 114.04 19.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.607 0.763 . . . . 72.4 108.954 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.514 ' HB2' HD22 ' B' ' 150' ' ' LEU . 6.0 t80 -109.19 97.92 7.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.619 -0.882 . . . . 73.11 108.619 -171.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 47.52 32.79 2.53 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.663 0.785 . . . . 63.21 112.361 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.56 17.59 38.47 Favored Glycine 0 C--N 1.351 1.362 0 N-CA-C 114.193 0.437 . . . . 53.14 114.193 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 144' ' ' ASP . 41.3 mmtm -107.56 173.71 6.2 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.813 0.806 . . . . 74.02 109.861 172.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -133.82 127.53 32.84 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.582 -1.636 . . . . 71.23 106.582 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' B' ' 145' ' ' PHE . 1.5 mm? -88.41 137.78 32.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.637 0.775 . . . . 71.04 110.3 -167.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.536 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 5.6 mp0 -89.32 126.97 35.74 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.761 -1.199 . . . . 75.3 107.761 166.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -62.21 -35.83 80.07 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.064 0.459 . . . . 65.43 110.818 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.27 21.05 13.75 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.898 -0.592 . . . . 72.11 113.239 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.536 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 13.0 tpt180 -104.95 174.14 6.01 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.888 -1.153 . . . . 73.44 107.888 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 34.8 m -116.72 150.1 38.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.452 0.701 . . . . 74.54 110.181 -174.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.557 HD13 HG13 ' B' ' 161' ' ' ILE . 4.1 mm? -58.91 -42.54 89.88 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.601 0.76 . . . . 74.23 111.163 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -58.07 -35.21 71.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.408 0.683 . . . . 72.05 112.255 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.35 -29.51 67.72 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.339 0.656 . . . . 64.42 111.39 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -96.9 -4.88 39.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 119.095 -0.479 . . . . 74.2 111.184 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.97 58.11 5.66 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 122.202 1.001 . . . . 74.25 110.276 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.557 HG13 HD13 ' B' ' 156' ' ' LEU . 22.0 mm -66.44 114.66 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 114.002 -1.454 . . . . 75.3 111.114 -172.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -81.71 148.56 28.91 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 109.199 -0.667 . . . . 73.24 109.199 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -57.66 131.08 49.18 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.313 -0.625 . . . . 74.34 109.313 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 73.63 22.84 2.51 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.391 1.057 . . . . 73.33 111.504 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 75.5 m -51.12 127.26 18.69 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 111.669 0.248 . . . . 73.31 111.669 166.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.17 140.15 31.93 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.39 0.614 . . . . 74.3 110.174 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' B' ' 143' ' ' LEU . 23.0 tp -145.35 107.44 4.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.101 0.96 . . . . 72.53 108.81 -170.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.01 124.83 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.535 0.683 . . . . 72.41 110.715 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.529 HD12 ' HB ' ' A' ' 7' ' ' THR . 79.4 mt -72.64 107.18 4.99 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.381 -0.827 . . . . 75.2 110.598 172.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.3 mt -95.79 156.54 16.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.215 -1.031 . . . . 74.41 108.215 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.48 173.5 10.26 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.185 0.594 . . . . 73.51 109.903 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 14.5 t -44.64 159.99 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.349 1.059 . . . . 64.42 112.398 172.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . 0.313 0.6 OUTLIER 48.03 -79.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.956 1.302 . . . . 73.31 111.098 -156.54 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.697 HH11 ' HB3' ' B' ' 142' ' ' ARG . 16.2 tpt180 . . . . . 0 C--O 1.257 1.484 0 N-CA-C 108.678 -0.86 . . . . 72.33 108.678 173.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.828 -0.509 . . . . 74.25 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 45.7 m -84.92 93.93 8.65 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 123.245 0.618 . . . . 74.22 110.203 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.55 109.92 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.111 -1.441 . . . . 70.23 107.111 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 77.5 p 178.71 -42.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.656 0.782 . . . . 74.52 110.334 -172.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.8 99.59 0.12 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.305 1.042 . . . . 71.53 110.287 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 29.2 p -163.4 95.94 0.85 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.817 0.847 . . . . 73.41 109.625 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -76.02 -52.36 6.35 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.357 -0.697 . . . . 53.54 111.357 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 90.6 mmm -91.62 -176.44 4.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.007 0.923 . . . . 74.54 109.894 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 64.15 39.41 7.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.632 0.773 . . . . 74.44 111.903 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.6 p -61.43 -13.66 22.14 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 114.164 1.172 . . . . 74.43 114.164 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -111.82 -28.75 7.94 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.057 0.456 . . . . 73.25 110.666 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -87.51 -19.29 28.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.75 0.82 . . . . 71.2 112.504 -172.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.36 -51.53 67.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.437 0.695 . . . . 72.34 111.077 -170.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -53.63 -30.91 45.14 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.456 0.702 . . . . 74.53 112.555 -173.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.55 -62.92 1.51 Allowed 'General case' 0 C--N 1.345 0.375 0 O-C-N 124.235 0.959 . . . . 75.44 110.466 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.79 -28.12 65.47 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.263 -0.88 . . . . 74.04 111.517 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.49 -46.34 73.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.525 -0.546 . . . . 74.55 109.525 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -70.37 -37.23 74.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.204 -0.907 . . . . 74.32 110.604 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.8 -34.64 77.17 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.084 0.553 . . . . 63.11 111.719 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.87 -40.58 72.2 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.045 -1.095 . . . . 72.23 108.045 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.22 -45.96 91.0 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.243 0.964 . . . . 75.53 110.836 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.517 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 16.4 m-30 -57.74 -47.66 81.83 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.626 0.726 . . . . 62.33 109.814 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -66.95 -26.67 66.95 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.181 -1.372 . . . . 74.52 111.003 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.2 m -67.75 -40.78 84.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.113 -0.699 . . . . 74.24 109.113 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.517 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 35.0 m-85 -59.45 -57.71 11.78 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 120.655 0.264 . . . . 74.32 110.958 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.64 HD11 HD12 ' C' ' 777' ' ' LEU . 20.3 mt -66.19 -43.32 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.273 0.983 . . . . 74.34 110.634 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.75 -48.9 70.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.033 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 73' ' ' LEU . . . -69.22 -32.24 71.36 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.616 0.598 . . . . 71.22 112.616 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 25.5 ptm -72.37 -44.17 62.94 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.652 -0.87 . . . . 74.1 108.652 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.617 HD22 ' HG ' ' C' ' 768' ' ' LEU . 39.1 mt -71.1 -10.62 60.07 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 75.33 112.812 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 17.5 m -77.23 -17.0 58.8 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.222 1.009 . . . . 71.22 111.693 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -119.82 -53.15 2.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.21 0.604 . . . . 74.14 110.623 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -99.09 83.37 2.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 107.664 -1.236 . . . . 74.03 107.664 172.256 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' C' ' 762' ' ' LEU . 38.7 mp0 -71.62 66.39 0.51 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 116.123 -0.49 . . . . 75.23 111.425 175.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 11.4 m 167.98 139.79 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.367 2.667 . . . . 62.23 108.398 167.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.617 ' HG ' HD22 ' C' ' 762' ' ' LEU . 0.8 OUTLIER -158.14 143.36 16.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.889 -1.051 . . . . 73.41 109.388 172.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 15.8 m -80.96 145.11 31.39 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.447 -1.316 . . . . 74.22 107.447 167.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.465 ' O ' HD12 ' C' ' 770' ' ' LEU . 5.1 tp -59.48 -28.58 67.14 Favored 'General case' 0 C--O 1.204 -1.337 0 O-C-N 124.017 0.823 . . . . 71.42 112.371 -170.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.79 -39.4 65.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 119.348 0.976 . . . . 74.13 111.698 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.438 ' NH1' ' HA ' ' C' ' 768' ' ' LEU . 69.8 mtt180 -66.61 -61.08 2.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.04 0.936 . . . . 72.13 110.13 -175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -34.24 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 113.841 -1.527 . . . . 72.44 110.834 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -66.95 -45.72 76.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.435 0.694 . . . . 75.12 111.252 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.776 0.43 . . . . 74.25 110.324 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 33.1 mtm -65.13 -55.88 16.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.65 -0.705 . . . . 74.5 110.626 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.64 HD12 HD11 ' C' ' 758' ' ' ILE . 4.9 mt -55.45 -35.71 65.75 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.041 0.536 . . . . 72.3 111.075 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -59.09 -55.96 28.38 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.283 1.033 . . . . 71.51 110.584 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -58.23 -46.64 85.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.931 0.77 . . . . 75.12 110.733 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -65.21 -39.15 92.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.098 0.559 . . . . 74.44 112.226 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . . . . . . . . . 4.9 p -75.81 -31.31 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.75 0.25 . . . . 63.31 111.329 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.24 -27.05 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 112.145 0.424 . . . . 74.33 112.145 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.3 p -66.27 -23.83 66.47 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 112.239 0.459 . . . . 72.12 112.239 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -127.41 172.72 18.71 Favored Glycine 0 N--CA 1.462 0.372 0 N-CA-C 110.767 -0.933 . . . . 73.22 110.767 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.31 -32.87 97.51 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.375 2.05 . . . . 71.04 111.34 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 37.04 -89.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.944 2.098 . . . . 72.01 114.839 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.83 24.81 2.83 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.985 0.914 . . . . 74.44 110.984 -171.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.74 33.44 20.16 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.194 0.998 . . . . 74.4 111.603 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 65.48 112.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.684 1.593 . . . . 72.31 111.356 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.407 HD13 ' HB3' ' C' ' 777' ' ' LEU . 35.8 pt -72.86 153.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 121.499 0.666 . . . . 74.12 110.151 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.92 176.28 5.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.961 -1.018 . . . . 75.11 109.464 -173.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.87 -53.0 61.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.558 0.743 . . . . 75.01 111.252 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.25 -25.07 66.71 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.882 0.31 . . . . 72.41 111.305 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.3 10.76 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 109.082 -0.71 . . . . 73.32 109.082 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' C' ' 777' ' ' LEU . 2.7 tt -65.76 -51.1 61.88 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.318 1.447 . . . . 73.41 110.497 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.32 -38.82 77.89 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.853 0.861 . . . . 74.35 110.555 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.48 80.82 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.796 0.685 . . . . 72.02 113.549 170.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.56 -45.97 90.51 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.722 0.809 . . . . 73.45 110.312 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 57.8 mt -67.55 -45.94 74.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.205 -1.361 . . . . 54.32 112.493 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -28.03 66.88 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.901 -0.407 . . . . 65.01 109.901 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.12 64.7 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 108.697 -0.853 . . . . 72.41 108.697 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -57.13 -37.01 71.39 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.452 0.47 . . . . 71.31 112.249 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 93.9 t -65.37 -43.35 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 121.047 0.451 . . . . 75.33 110.759 174.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -79.92 -8.08 59.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.002 0.921 . . . . 75.31 112.276 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -88.05 -5.56 58.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.713 1.205 . . . . 71.1 109.715 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.98 12.73 7.12 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.679 1.592 . . . . 74.2 111.561 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -78.93 -37.44 39.77 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.389 1.075 . . . . 75.32 110.32 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 45.4 tp -127.49 138.85 53.05 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 72.41 109.495 -167.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.03 135.23 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.086 0.954 . . . . 72.55 109.695 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -93.11 116.06 28.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.257 -1.016 . . . . 74.01 108.257 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 24.5 t -89.5 -139.71 0.13 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.963 -0.754 . . . . 75.03 108.963 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.81 71.87 2.01 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.678 0.672 . . . . 72.21 110.812 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.99 19.25 78.9 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.249 -0.887 . . . . 72.3 113.741 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.82 165.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.647 0.779 . . . . 72.44 109.942 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.83 140.62 37.41 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.241 -0.651 . . . . 63.54 109.241 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.588 ' HA ' HD21 ' C' ' 762' ' ' LEU . 0.1 OUTLIER -151.33 132.21 14.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.728 0.811 . . . . 73.3 109.469 178.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.91 135.14 70.99 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 109.258 -0.645 . . . . 73.31 109.258 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.01 -74.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 123.419 2.746 . . . . 75.44 111.794 170.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -172.3 85.77 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 C-N-CA 125.691 1.597 . . . . 73.21 108.486 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -76.1 -55.13 5.88 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.863 -0.791 . . . . 74.35 108.863 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 57.3 m 50.38 10.56 0.06 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.64 1.576 . . . . 74.13 114.267 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 822' ' ' SER . . . . . 0.641 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 51.6 p . . . . . 0 C--O 1.257 1.461 0 C-N-CA 125.009 1.324 . . . . 62.22 108.881 -168.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 120.059 -0.3 . . . . 74.3 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -105.46 145.59 30.66 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.098 0.559 . . . . 75.33 110.307 -174.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.4 OUTLIER -101.07 119.87 39.37 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.38 -0.6 . . . . 75.41 109.38 -174.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 pt -117.25 161.96 15.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-O 121.162 0.506 . . . . 74.11 110.229 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 11.8 m-85 -112.46 118.82 36.22 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.341 -0.985 . . . . 73.34 108.341 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.448 HG23 HD23 ' B' ' 115' ' ' LEU . 52.9 t -96.37 91.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 106.95 -1.5 . . . . 73.4 106.95 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' B' ' 168' ' ' ILE . 4.8 m-20 -80.86 100.25 8.74 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.046 -1.434 . . . . 42.34 109.929 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.425 ' HB ' HD23 ' B' ' 169' ' ' LEU . 5.5 t -99.38 112.39 24.58 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.394 0.616 . . . . 72.24 109.631 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 110' ' ' TRP . 8.4 p -94.35 127.53 46.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 108.99 -0.744 . . . . 75.42 108.99 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 85.7 mm-40 -108.59 81.19 1.43 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.473 -1.306 . . . . 70.13 107.473 176.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.711 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 7.3 t-105 -112.42 102.17 10.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 107.15 -1.426 . . . . 72.33 107.15 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.597 ' NZ ' ' HB2' ' B' ' 171' ' ' LEU . 34.5 mttt -163.57 157.82 19.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.853 0.861 . . . . 74.13 112.039 -173.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.445 HG22 ' HB3' ' B' ' 104' ' ' PHE . 59.6 m -75.53 120.3 20.76 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.76 -1.564 . . . . 64.43 111.336 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.15 113.8 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.796 -1.187 . . . . 74.33 107.796 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 HG22 ' CD1' ' B' ' 104' ' ' PHE . 24.5 p -93.63 101.61 13.77 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.883 0.373 . . . . 73.23 110.126 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD22 HG21 ' B' ' 105' ' ' VAL . 1.3 pt? -120.61 171.27 8.69 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 115.679 -0.691 . . . . 65.15 109.249 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 38.5 tt0 -124.78 127.46 47.24 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.17 -1.048 . . . . 74.44 108.17 171.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.452 HG11 ' HE3' ' B' ' 101' ' ' MET . 13.6 p -122.94 167.94 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.492 0.717 . . . . 73.42 109.217 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.24 149.88 36.43 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 109.862 -0.421 . . . . 75.33 109.862 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.83 -36.07 92.11 Favored 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.601 2.201 . . . . 74.35 111.685 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -79.46 -11.36 59.91 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.433 1.083 . . . . 72.12 113.187 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 164.4 24.38 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.898 0.317 . . . . 72.54 110.353 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.8 p -90.43 161.5 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 63.33 111.207 173.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.542 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.9 mm -65.07 -25.22 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 115.091 -0.959 . . . . 72.42 110.781 175.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -62.44 -19.09 63.14 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 122.956 0.503 . . . . 73.44 111.455 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.96 -41.78 70.64 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.019 0.528 . . . . 73.42 110.853 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.56 -41.76 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.129 -0.693 . . . . 73.24 109.129 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -52.08 -51.19 59.27 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.791 0.837 . . . . 74.43 111.125 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.11 82.51 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 114.79 -1.095 . . . . 72.21 111.036 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -75.54 -34.93 60.79 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 123.598 0.561 . . . . 73.13 112.463 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' A' ' 36' ' ' ILE . 21.6 pt -71.57 -33.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.0 0.818 . . . . 75.54 109.65 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.46 -35.19 77.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.35 1.06 . . . . 74.54 110.94 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.1 -44.08 49.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.236 1.014 . . . . 65.44 111.871 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.56 -52.09 6.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.259 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -106.26 -8.99 17.03 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 112.153 0.427 . . . . 72.42 112.153 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 10.58 84.61 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 119.82 -0.434 . . . . 75.44 114.137 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD11 ' HB ' ' A' ' 30' ' ' ILE . 83.0 mt -63.59 126.59 89.93 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 124.091 0.957 . . . . 75.21 111.5 -172.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.82 122.96 10.41 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.814 2.343 . . . . 72.41 112.484 174.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -48.22 -34.27 23.89 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 124.278 3.318 . . . . 70.4 113.434 165.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.3 -36.08 72.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.73 -1.123 . . . . 73.54 111.618 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.487 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 18.5 mt-30 -98.8 -0.29 42.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.016 0.527 . . . . 71.52 112.358 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.11 122.55 24.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.352 1.061 . . . . 72.42 110.78 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.587 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 26.8 mtp-105 -125.58 77.98 1.7 Allowed 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.694 -1.595 . . . . 72.13 106.694 167.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 117.8 20.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 71.41 109.843 -175.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.417 HG22 ' CE1' ' C' ' 757' ' ' TYR . 8.7 mm -110.04 139.36 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 108.877 -0.786 . . . . 74.34 108.877 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD1' ' HG ' ' A' ' 67' ' ' LEU . 86.1 t80 -121.43 100.59 7.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.685 1.194 . . . . 74.22 108.933 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.45 26.88 13.15 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.592 0.757 . . . . 64.52 112.374 174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 96.55 11.91 52.42 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.807 -0.633 . . . . 72.32 114.411 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -126.55 127.06 44.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.359 0.664 . . . . 74.41 110.293 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.424 HE22 HD13 ' C' ' 753' ' ' LEU . 24.5 mp0 -78.95 132.87 36.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.717 0.807 . . . . 72.4 110.686 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HB3' HG23 ' A' ' 23' ' ' ILE . 36.3 mt -94.78 117.33 29.96 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.729 0.812 . . . . 64.41 111.44 -175.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -81.85 128.73 34.33 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.9 -1.148 . . . . 73.15 107.9 165.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.0 p-10 -63.85 -24.09 67.61 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.357 0.663 . . . . 73.32 112.386 -172.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.75 76.16 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 115.652 -0.704 . . . . 73.22 114.028 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -81.19 171.99 14.2 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.226 0.61 . . . . 75.13 109.835 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.3 m -98.7 160.14 14.47 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.848 0.859 . . . . 75.54 109.498 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 61' ' ' ILE . 3.9 mm? -61.05 -48.99 79.18 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.506 -0.553 . . . . 75.32 109.506 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 t -66.32 -21.94 66.27 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.226 -0.897 . . . . 74.43 112.142 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' THR . 11.7 t70 -54.89 -38.33 67.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.127 0.571 . . . . 70.11 110.178 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' HB2' HG13 ' A' ' 61' ' ' ILE . 99.1 m-85 -99.04 -0.5 41.8 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 74.21 111.57 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.86 41.1 21.93 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.668 0.747 . . . . 74.13 110.124 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.534 HG13 ' HB2' ' A' ' 59' ' ' TYR . 39.1 mt -64.16 111.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-N 115.604 -0.725 . . . . 73.33 109.643 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.44 -173.81 2.87 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.509 -0.768 . . . . 64.32 110.897 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.41 147.26 40.1 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.681 -0.69 . . . . 74.32 110.812 176.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.26 26.93 12.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.319 1.447 . . . . 75.32 112.937 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 m -71.34 134.41 46.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.121 0.568 . . . . 64.55 110.31 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' C' ' 779' ' ' MET . . . -98.22 113.38 25.29 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.286 0.565 . . . . 74.34 110.498 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HG ' ' HD1' ' A' ' 45' ' ' PHE . 2.4 mp -104.12 153.12 21.3 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.916 1.287 . . . . 74.31 108.286 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HG21 ' HZ ' ' C' ' 780' ' ' PHE . 8.6 tt -124.94 134.97 65.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.146 -0.687 . . . . 73.4 109.146 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 ' H ' ' B' ' 108' ' ' VAL . 26.7 tp -96.22 118.28 32.46 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.465 -0.789 . . . . 74.31 109.352 172.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.587 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 6.9 mp -96.71 136.5 37.16 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.998 -1.482 . . . . 75.22 106.998 166.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.43 158.5 20.2 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.394 -0.965 . . . . 72.21 108.394 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 40' ' ' GLN . 82.9 m -35.75 110.78 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.782 0.833 . . . . 53.11 112.758 170.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.418 ' HG ' ' HG3' ' A' ' 74' ' ' ARG . 21.7 tp -69.72 -53.5 18.17 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.267 -1.333 . . . . 74.44 110.936 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' HG ' ' A' ' 73' ' ' LEU . 44.0 mtm180 . . . . . 0 C--O 1.248 0.996 0 N-CA-C 109.37 -0.604 . . . . 74.44 109.37 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 112.876 -0.09 . . . . 74.24 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.452 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -116.5 145.52 43.25 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.678 0.791 . . . . 71.45 109.228 -178.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -87.05 155.51 20.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.187 0.595 . . . . 71.01 109.529 -177.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 29.2 pt -149.13 152.45 12.03 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 CA-C-O 121.292 0.567 . . . . 74.4 109.845 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.448 ' CD1' HG22 ' A' ' 14' ' ' THR . 10.0 m-85 -111.72 99.57 8.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.432 -1.258 . . . . 74.02 107.605 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.442 HG21 HD22 ' A' ' 15' ' ' LEU . 48.2 t -100.46 104.43 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 N-CA-C 108.828 -0.804 . . . . 72.33 108.828 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 11.2 t70 -80.22 99.62 7.91 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.192 -1.04 . . . . 72.3 108.192 -175.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 63.1 p -100.06 141.18 33.23 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.874 0.87 . . . . 75.12 111.369 -171.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.711 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 4.0 p -119.96 132.06 70.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 CA-C-O 121.74 0.781 . . . . 75.44 111.926 170.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -135.62 97.53 3.69 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.261 -1.336 . . . . 75.41 107.467 166.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' VAL . 10.9 t-105 -73.68 130.34 39.8 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.369 -1.345 . . . . 73.44 107.369 171.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.562 ' HB3' ' HZ2' ' B' ' 111' ' ' LYS . 7.0 mtpm? -132.0 155.47 47.95 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.576 1.151 . . . . 75.24 108.643 -174.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 30.4 m -135.29 123.2 22.58 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.952 0.501 . . . . 74.42 110.596 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 38.4 mt -95.69 152.36 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 107.605 -1.257 . . . . 62.41 107.605 168.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -135.6 113.54 11.16 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.401 -0.962 . . . . 73.44 108.401 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.626 HD12 ' HD2' ' B' ' 129' ' ' LYS . 0.9 OUTLIER -128.64 167.8 16.67 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.174 -0.921 . . . . 74.22 108.93 -177.136 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 31.3 tt0 -108.97 147.19 32.64 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.861 -1.163 . . . . 74.21 107.861 163.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.21 163.88 7.29 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 N-CA-C 109.399 -0.593 . . . . 74.41 109.399 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -108.12 152.71 41.93 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 109.202 -0.666 . . . . 73.42 109.202 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' B' ' 157' ' ' SER . 43.8 Cg_endo -65.15 -34.65 45.2 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.372 2.048 . . . . 70.43 111.465 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -74.78 -15.88 60.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.912 0.885 . . . . 74.54 111.967 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.08 146.21 49.41 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 109.642 -0.503 . . . . 73.32 109.642 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -84.69 168.15 15.52 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 123.754 0.659 . . . . 73.33 110.697 167.33 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.431 HG12 ' O ' ' B' ' 154' ' ' ARG . 37.4 mm -73.25 -17.13 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.883 -0.598 . . . . 74.33 109.632 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.463 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -56.21 -34.73 66.57 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 123.331 0.652 . . . . 71.23 110.714 174.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.54 -42.89 98.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.309 0.644 . . . . 72.12 110.584 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.39 -45.45 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.513 -0.767 . . . . 74.41 110.568 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.581 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -67.52 -36.3 80.76 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.0 0.429 . . . . 74.54 111.026 177.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.473 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -65.84 -41.75 91.35 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.79 -0.641 . . . . 72.34 111.054 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.626 ' HD2' HD12 ' B' ' 115' ' ' LEU . 18.0 ptpt -74.92 -40.84 60.62 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.987 -0.53 . . . . 73.45 110.889 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.458 HG12 ' HA ' ' B' ' 127' ' ' LYS . 32.1 pt -66.96 -26.28 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 119.026 0.83 . . . . 74.44 110.706 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -73.73 -42.74 60.74 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 122.122 -0.361 . . . . 74.04 110.834 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.69 -35.4 80.92 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.408 0.683 . . . . 74.04 111.409 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 66.3 mmtt -96.67 -50.52 4.67 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.21 -0.904 . . . . 74.52 111.127 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -101.94 -24.43 14.01 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.797 0.439 . . . . 75.13 111.873 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 88.68 15.43 59.84 Favored Glycine 0 N--CA 1.479 1.526 0 CA-C-O 120.118 -0.268 . . . . 71.14 113.591 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.434 HD12 HD22 ' B' ' 169' ' ' LEU . 74.0 mt -74.64 121.56 85.53 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.657 0.783 . . . . 75.43 110.204 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.2 126.38 11.06 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.217 2.611 . . . . 72.14 112.229 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.581 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.2 Cg_endo -52.86 -47.27 28.33 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 123.951 3.101 . . . . 74.25 113.969 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -26.58 66.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.35 111.153 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -109.52 15.96 22.57 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.591 0.757 . . . . 75.05 111.242 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.522 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -115.57 136.91 52.6 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.866 -0.791 . . . . 73.54 108.866 171.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -117.14 85.41 2.32 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.319 1.047 . . . . 75.14 108.195 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.522 ' HB2' HE22 ' B' ' 141' ' ' GLN . 0.9 OUTLIER -74.36 110.08 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.734 -0.839 . . . . 73.23 108.734 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . 0.553 ' HB3' HG22 ' B' ' 168' ' ' ILE . 20.4 t70 -99.14 138.78 35.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.285 0.564 . . . . 73.15 110.086 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -133.84 106.38 7.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.727 1.211 . . . . 70.14 108.83 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.49 27.72 16.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.055 0.942 . . . . 71.42 112.479 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.68 3.47 64.4 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 116.389 -0.369 . . . . 72.14 113.133 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -127.71 117.75 22.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.827 0.851 . . . . 75.11 110.215 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 69.2 mt-30 -68.61 150.7 47.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.37 0.668 . . . . 73.52 111.147 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.589 HD11 HD21 ' B' ' 167' ' ' LEU . 88.7 mt -93.92 112.33 24.16 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.138 0.975 . . . . 75.11 111.25 -170.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 38.6 mt-10 -65.93 125.62 25.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.652 0.781 . . . . 75.32 109.393 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.58 -31.26 64.06 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.169 0.988 . . . . 75.22 112.442 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -96.18 21.43 45.34 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.303 -0.408 . . . . 74.34 113.847 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.4 OUTLIER -111.35 158.71 18.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.81 0.844 . . . . 75.54 109.381 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 14.5 p -94.62 159.76 14.93 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.751 0.705 . . . . 74.11 111.304 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.21 -38.66 92.03 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 124.071 0.857 . . . . 70.42 109.264 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' B' ' 119' ' ' PRO . 12.9 t -65.7 -31.37 72.34 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.244 0.617 . . . . 64.34 111.822 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.0 -30.47 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.393 0.677 . . . . 74.45 110.965 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.93 -9.2 26.63 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.19 0.596 . . . . 74.32 110.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.4 t30 54.5 57.73 5.53 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.979 1.312 . . . . 71.51 110.359 -173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.11 116.67 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 114.238 -1.346 . . . . 73.33 110.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . 0.408 ' HG3' ' HB2' ' B' ' 165' ' ' SER . 9.5 pt20 -85.29 155.15 21.48 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.373 0.606 . . . . 74.32 110.816 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.468 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 14.2 ptmm? -63.58 133.02 53.02 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.163 -0.926 . . . . 74.54 109.625 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 67.14 22.64 9.77 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.231 -1.349 . . . . 55.41 112.051 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.408 ' HB2' ' HG3' ' B' ' 162' ' ' GLN . 10.9 t -64.94 142.9 58.28 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 121.071 -0.252 . . . . 75.14 110.628 170.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.6 126.18 45.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.019 -0.734 . . . . 72.23 109.019 174.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.589 HD21 HD11 ' B' ' 150' ' ' LEU . 3.5 mp -122.7 124.37 43.25 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.516 -1.291 . . . . 73.44 107.516 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' B' ' 144' ' ' ASP . 9.4 tt -93.64 100.65 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 122.459 1.123 . . . . 71.15 110.324 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 141' ' ' GLN . 52.4 tp -77.31 106.87 9.32 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.995 -1.457 . . . . 74.41 109.863 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.36 162.73 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.421 -1.263 . . . . 75.11 109.028 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.597 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . 4.2 mp -87.81 176.83 7.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.36 -0.978 . . . . 73.44 108.36 170.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.2 t -36.69 129.53 0.79 Allowed 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.963 1.305 . . . . 62.41 113.024 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.99 -92.13 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.573 1.149 . . . . 75.14 109.219 -162.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--O 1.253 1.243 0 N-CA-C 106.921 -1.511 . . . . 72.24 106.921 172.336 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.969 -0.452 . . . . 60.32 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 46.0 t -80.58 83.06 6.44 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.531 0.682 . . . . 72.23 110.704 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.17 148.12 28.65 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.328 1.051 . . . . 54.13 109.8 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 38.0 t -173.27 -54.17 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.053 -0.721 . . . . 75.1 109.053 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.43 -168.35 0.21 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.585 1.154 . . . . 74.03 111.985 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 30.3 t -154.01 -169.06 3.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 72.03 109.511 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -83.49 -162.16 32.72 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.621 0.153 . . . . 74.24 113.272 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 95.6 mmm -118.44 127.07 53.31 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.368 0.667 . . . . 74.24 111.106 -177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' C' ' 745' ' ' ASP . . . -172.0 -34.37 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.571 1.548 . . . . 74.23 109.442 176.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t 81.11 -70.15 0.08 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.562 1.945 . . . . 71.14 111.501 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -76.95 -55.99 4.98 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.865 0.364 . . . . 75.34 111.193 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.08 -23.19 65.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.756 -0.656 . . . . 70.43 110.735 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' C' ' 741' ' ' ALA . 21.2 t70 -82.57 -47.8 11.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 122.86 0.464 . . . . 73.35 111.345 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.515 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 19.1 pt20 -57.07 -46.39 82.53 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 123.715 0.634 . . . . 73.34 111.716 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 16.0 ptpt -60.02 -44.38 94.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.764 0.665 . . . . 72.12 110.826 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.273 0.629 . . . . 70.15 111.238 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.17 -40.5 85.79 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.771 0.669 . . . . 74.41 109.83 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 24.8 mm-40 -69.51 -44.15 71.63 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.083 -0.962 . . . . 65.25 111.678 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 45.0 mt -69.35 -34.58 74.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.662 0.385 . . . . 73.41 110.742 -177.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.62 -37.01 68.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.848 -0.797 . . . . 73.13 108.848 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . 0.424 HD13 HE22 ' A' ' 49' ' ' GLN . 0.5 OUTLIER -67.21 -38.5 85.41 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 109.695 -0.483 . . . . 73.53 109.695 175.317 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.439 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 17.6 m-30 -63.98 -39.89 95.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.794 0.838 . . . . 72.22 108.847 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.431 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 17.1 t-105 -66.94 -36.73 82.9 Favored 'General case' 0 C--O 1.195 -1.808 0 CA-C-N 114.456 -1.247 . . . . 74.13 110.503 173.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -62.32 -37.45 85.66 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.768 0.713 . . . . 60.32 110.623 176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.584 ' HA ' HD22 ' A' ' 70' ' ' LEU . 22.4 m-85 -65.65 -60.76 2.58 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.865 -0.607 . . . . 75.22 109.964 177.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.401 HG21 HG22 ' C' ' 773' ' ' ILE . 55.9 mt -64.08 -36.18 76.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 124.252 0.97 . . . . 74.05 111.042 -174.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.21 -53.86 26.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.583 0.753 . . . . 75.44 109.68 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.41 65.71 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.243 0.617 . . . . 64.13 111.283 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.804 ' HE3' HD21 ' C' ' 768' ' ' LEU . 27.0 ttt -70.38 -44.65 67.63 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.148 -0.933 . . . . 65.34 109.931 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.781 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 78.8 mt -74.68 -19.42 60.27 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.343 1.057 . . . . 74.53 111.665 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 63.2 m -70.95 -25.06 62.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.196 0.998 . . . . 73.13 111.101 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -109.0 -56.59 2.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.397 -0.964 . . . . 72.41 108.397 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.31 78.92 6.96 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.339 1.456 . . . . 73.32 108.222 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.99 43.31 0.43 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 112.121 0.415 . . . . 65.41 112.121 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 14.8 p 173.33 118.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.982 1.713 . . . . 72.44 109.649 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.804 HD21 ' HE3' ' C' ' 761' ' ' MET . 2.6 pp -164.82 161.54 20.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.27 0.628 . . . . 73.34 111.354 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 13.3 t -86.89 155.01 20.41 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 122.961 0.504 . . . . 71.43 109.779 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.22 -30.61 60.32 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 124.273 1.029 . . . . 74.34 110.197 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.3 -59.74 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.498 1.119 . . . . 75.13 112.402 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.524 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 99.6 mtt180 -52.25 -52.5 52.16 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.983 0.913 . . . . 73.32 111.746 -174.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.453 HG21 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -74.04 -29.9 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.718 -1.128 . . . . 73.42 111.544 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.415 ' HH ' HD21 ' C' ' 792' ' ' LEU . 89.2 t80 -68.17 -41.32 81.68 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 109.423 -0.584 . . . . 73.54 109.423 173.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.03 -49.65 73.75 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.816 0.698 . . . . 73.11 110.251 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.443 ' HG2' ' HA ' ' C' ' 773' ' ' ILE . 19.1 ptp -65.99 -46.43 78.06 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 115.908 -0.587 . . . . 73.4 110.613 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.523 HD22 HD23 ' C' ' 795' ' ' LEU . 6.9 mp -59.44 -37.04 77.11 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 118.052 0.387 . . . . 75.43 111.586 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -68.14 -37.1 80.69 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.595 -0.729 . . . . 73.03 110.356 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 779' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 66' ' ' ALA . 61.6 ttp -61.99 -51.29 68.65 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.739 -0.664 . . . . 75.3 110.754 174.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . 0.452 ' HZ ' HG21 ' A' ' 68' ' ' ILE . 37.8 m-85 -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.978 0.511 . . . . 75.14 111.281 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.537 HG12 HG12 ' C' ' 790' ' ' ILE . 2.7 p -75.19 -36.65 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.173 -0.467 . . . . 74.15 111.113 -177.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.9 p -74.54 -33.91 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.131 0.423 . . . . 63.12 111.454 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.7 p -69.53 -21.87 63.62 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 72.14 112.522 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.35 -175.51 14.01 Favored Glycine 0 N--CA 1.469 0.846 0 CA-C-O 119.796 -0.447 . . . . 74.33 113.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.49 -22.69 12.09 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.941 2.427 . . . . 72.14 112.183 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . 0.495 ' HA ' ' HG3' ' C' ' 750' ' ' GLU . . . 25.93 -88.94 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.792 2.437 . . . . 74.25 115.915 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.17 30.03 0.87 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.73 0.812 . . . . 75.24 109.705 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 61.84 48.51 5.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.659 1.183 . . . . 62.13 112.654 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 72.81 119.04 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.416 1.487 . . . . 71.22 112.517 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.537 HG12 HG12 ' C' ' 781' ' ' VAL . 26.8 pt -65.13 174.36 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.318 1.047 . . . . 75.33 111.186 173.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.95 160.12 42.28 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.077 -0.712 . . . . 74.12 109.077 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . 0.415 HD21 ' HH ' ' C' ' 774' ' ' TYR . 4.4 mm? -58.09 -48.84 78.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.206 0.602 . . . . 73.15 112.492 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.17 69.69 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.807 0.731 . . . . 73.44 111.561 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.77 -34.47 52.31 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.105 0.479 . . . . 72.01 110.442 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.523 HD23 HD22 ' C' ' 777' ' ' LEU . 0.4 OUTLIER -83.84 -53.04 5.88 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.719 0.808 . . . . 74.43 109.371 -173.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -49.73 -41.18 43.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.315 0.646 . . . . 74.31 109.608 164.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -52.55 -44.98 59.83 Favored Glycine 0 C--N 1.356 1.678 0 O-C-N 124.163 0.914 . . . . 52.45 114.008 170.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.431 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 15.9 t80 -61.03 -50.8 71.89 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.429 0.691 . . . . 75.41 110.924 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' C' ' 773' ' ' ILE . 3.9 mm? -61.47 -50.84 71.16 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.059 -0.519 . . . . 74.15 111.703 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.68 -31.77 73.14 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.049 0.843 . . . . 72.21 109.759 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.1 OUTLIER -61.5 -56.49 19.51 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 107.843 -1.169 . . . . 74.54 107.843 173.603 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.582 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 75.6 mmtt -53.67 -40.23 65.76 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 124.312 1.008 . . . . 74.04 112.604 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.1 -45.66 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.828 0.451 . . . . 73.52 110.681 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -78.05 -10.0 59.4 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.919 0.488 . . . . 75.11 111.725 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -92.48 -4.65 53.3 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.77 1.228 . . . . 65.45 111.547 170.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.26 14.44 9.72 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.297 1.439 . . . . 71.41 112.355 -176.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -85.58 -11.41 54.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.233 1.013 . . . . 75.14 110.998 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.582 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.6 OUTLIER -149.16 150.2 32.27 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.369 0.668 . . . . 74.51 109.37 -176.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . 0.411 HG22 ' HD3' ' C' ' 818' ' ' PRO . 68.7 t -105.3 143.9 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.347 1.059 . . . . 74.54 110.403 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -121.66 115.84 23.48 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.505 1.122 . . . . 72.22 108.136 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -91.06 -144.66 0.18 Allowed 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.181 -1.044 . . . . 75.12 108.181 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.28 77.64 1.33 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.459 0.572 . . . . 74.14 110.262 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.7 79.76 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.391 -0.822 . . . . 65.11 113.555 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 32.3 m -133.42 150.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.095 0.558 . . . . 75.1 110.513 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -100.98 147.27 26.37 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.206 0.602 . . . . 64.11 110.974 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.732 ' HA ' HD23 ' C' ' 762' ' ' LEU . 11.1 ptt180 -159.74 146.09 16.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.0 -1.0 . . . . 72.23 109.431 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.781 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 1.9 tp -80.31 138.64 52.06 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 117.96 0.345 . . . . 70.25 110.202 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . 0.411 ' HD3' HG22 ' C' ' 809' ' ' VAL . 38.2 Cg_endo -70.15 128.16 15.29 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.919 1.746 . . . . 73.2 110.878 170.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.1 154.92 38.92 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.909 0.884 . . . . 71.23 108.891 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.09 159.71 30.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.008 0.523 . . . . 74.43 111.302 -179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 50.1 t -166.08 -52.88 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.045 0.938 . . . . 63.53 109.08 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.251 1.156 0 N-CA-C 108.307 -0.997 . . . . 63.14 108.307 -175.818 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.53 -0.628 . . . . 60.53 111.53 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.547 ' HE2' ' HB ' ' B' ' 161' ' ' ILE . 0.0 OUTLIER -155.79 147.28 22.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.496 0.718 . . . . 74.15 109.326 179.524 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -93.93 155.89 16.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.11 0.564 . . . . 63.13 109.551 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -126.34 152.4 33.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 108.418 -0.956 . . . . 72.55 108.418 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -106.6 114.12 28.04 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.934 -1.506 . . . . 75.43 106.934 166.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 p -105.44 110.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 122.126 0.965 . . . . 74.41 108.535 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.447 ' HB2' HG21 ' B' ' 168' ' ' ILE . 12.4 m-20 -91.0 104.33 16.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 75.25 110.699 -166.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.0 p -89.52 108.58 19.74 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.279 -1.008 . . . . 74.34 108.279 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.49 136.87 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.715 0.806 . . . . 73.0 110.068 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.23 118.65 21.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.203 1.001 . . . . 74.22 109.148 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -109.97 116.5 31.71 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.136 -1.061 . . . . 75.34 108.136 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.7 129.34 14.08 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.087 0.47 . . . . 74.43 111.25 -171.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 8.6 m -88.64 115.99 26.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.508 -0.769 . . . . 72.25 110.098 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 12.9 mt -93.26 157.58 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 108.709 -0.849 . . . . 74.33 108.709 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -120.64 121.82 39.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.089 -1.078 . . . . 75.51 108.089 174.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD21 HG13 ' B' ' 105' ' ' VAL . 1.2 pt? -137.66 163.88 30.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.231 0.612 . . . . 74.43 110.068 -177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -107.81 137.08 46.46 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.483 0.713 . . . . 75.2 109.404 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.486 HG13 ' HE3' ' B' ' 101' ' ' MET . 10.7 p -139.1 163.05 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.379 -1.282 . . . . 75.45 108.352 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -115.63 148.54 41.29 Favored Pre-proline 0 N--CA 1.488 1.462 0 CA-C-N 118.389 0.54 . . . . 63.02 109.937 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 55.0 Cg_endo -65.3 -26.47 56.26 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.744 2.296 . . . . 73.33 112.672 -175.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p -83.18 -16.29 47.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.507 0.723 . . . . 71.34 111.856 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.07 159.6 34.41 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 109.673 -0.492 . . . . 74.22 109.673 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -89.17 160.01 17.19 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.834 0.709 . . . . 65.0 110.548 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.557 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 31.6 mm -69.76 -25.29 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 114.336 -1.302 . . . . 75.14 110.089 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 27' ' ' LYS . 12.7 pt-20 -60.49 -23.27 64.37 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 124.171 0.988 . . . . 74.52 111.551 -176.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.8 -54.65 31.81 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.139 0.899 . . . . 71.1 109.598 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -47.24 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.003 -0.999 . . . . 74.33 109.733 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -58.42 -45.09 89.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.555 1.542 . . . . 74.24 111.393 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.24 73.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.118 -0.492 . . . . 71.21 110.932 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 53.6 mtmt -64.72 -51.15 63.93 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 123.686 0.616 . . . . 72.45 111.047 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.53 ' HB ' HD13 ' A' ' 36' ' ' ILE . 13.9 pt -67.94 -30.14 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 117.686 0.221 . . . . 75.51 110.925 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 37' ' ' PRO . 35.1 tt0 -64.7 -45.97 84.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 110.382 -0.229 . . . . 73.44 110.382 169.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.59 -45.63 86.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.56 0.744 . . . . 72.32 110.877 -174.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 66.3 mmtt -84.44 -51.22 7.1 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.298 -0.865 . . . . 73.1 110.999 -172.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.78 -4.31 23.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.172 0.589 . . . . 74.14 112.268 -167.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.52 29.54 65.7 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.45 0.468 . . . . 72.04 114.151 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' A' ' 30' ' ' ILE . 23.7 pt -102.58 102.34 25.51 Favored Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 123.474 0.709 . . . . 72.42 111.101 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.627 ' HA ' HE21 ' A' ' 31' ' ' GLN . 22.5 Cg_exo -66.38 146.12 79.51 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.717 2.278 . . . . 75.31 111.753 176.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -45.86 -39.73 19.3 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 124.771 3.648 . . . . 64.14 114.394 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.63 -39.17 91.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.631 0.772 . . . . 71.24 112.254 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -83.16 -23.65 32.84 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.401 0.62 . . . . 74.15 111.594 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.56 129.24 36.17 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.858 1.663 . . . . 74.15 109.526 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -132.38 70.79 1.46 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.814 0.846 . . . . 74.33 109.229 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.25 127.26 33.49 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.121 0.486 . . . . 72.44 110.027 177.134 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.624 HG12 ' HG3' ' A' ' 49' ' ' GLN . 22.8 mt -125.28 139.13 52.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 C-N-CA 123.583 0.753 . . . . 74.0 109.524 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.5 94.54 4.0 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.682 1.193 . . . . 73.32 109.039 -173.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.42 36.69 27.62 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.751 0.821 . . . . 74.43 111.201 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 -1.2 62.26 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 115.252 -0.885 . . . . 70.32 114.734 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -105.67 114.18 28.19 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.412 0.685 . . . . 73.23 110.763 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.624 ' HG3' HG12 ' A' ' 44' ' ' ILE . 24.7 mp0 -84.03 113.48 21.05 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.255 -1.017 . . . . 73.24 108.255 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HB2' HD11 ' A' ' 43' ' ' LEU . 22.1 mt -77.12 113.7 15.13 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.385 -0.37 . . . . 73.02 111.296 -167.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 3.0 tm-20 -80.18 129.73 34.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 105.652 -1.981 . . . . 73.43 105.652 173.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.557 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p-10 -65.73 -26.77 67.89 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.439 0.533 . . . . 65.03 112.439 -165.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.67 11.01 62.86 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 119.694 -0.503 . . . . 40.24 113.601 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HG2' ' HB3' ' A' ' 51' ' ' GLU . 20.7 mmt85 -93.96 174.76 7.0 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.041 -0.726 . . . . 73.34 109.041 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 p -101.18 169.66 8.77 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.105 -0.702 . . . . 74.15 109.105 172.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.1 mm? -69.26 -36.46 77.15 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 109.093 -0.706 . . . . 74.44 109.093 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 14.8 t -68.1 -26.95 66.07 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.924 0.889 . . . . 75.43 110.986 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.89 -28.63 51.96 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.949 0.9 . . . . 75.43 111.516 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.1 m-85 -110.04 2.9 19.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.334 0.654 . . . . 73.44 112.718 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.66 32.78 13.62 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.788 0.804 . . . . 72.21 110.475 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 59' ' ' TYR . 96.2 mt -64.65 116.28 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.96 0.904 . . . . 74.32 109.515 177.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -123.26 -177.6 3.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.631 1.173 . . . . 75.25 109.659 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 141.93 52.29 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 120.889 0.376 . . . . 75.13 111.838 -172.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.8 31.47 21.26 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.402 1.689 . . . . 74.25 112.361 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -83.76 138.89 33.05 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.406 -0.815 . . . . 73.35 109.444 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 107.87 19.85 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.399 0.679 . . . . 72.13 111.576 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' HB3' HG11 ' B' ' 105' ' ' VAL . 2.6 tt -95.46 135.12 37.5 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.989 -1.486 . . . . 73.55 106.989 174.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.439 HD11 ' HE2' ' C' ' 776' ' ' MET . 2.6 tt -114.77 125.59 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 108.739 -0.837 . . . . 74.14 108.739 170.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' HB3' ' HA ' ' B' ' 107' ' ' THR . 37.8 tp -87.62 127.77 35.27 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.133 -0.691 . . . . 74.0 109.133 172.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' C' ' 757' ' ' TYR . 4.0 mp -115.41 158.05 23.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.28 -1.378 . . . . 74.33 107.28 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.49 170.14 8.79 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 109.568 -0.53 . . . . 72.34 109.568 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.9 m -32.97 107.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.618 1.567 . . . . 71.01 113.38 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' C' ' 763' ' ' THR . 0.5 OUTLIER -72.88 -32.84 65.66 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.812 -0.631 . . . . 74.15 111.564 177.038 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HG2' HD13 ' A' ' 73' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 123.433 0.693 . . . . 75.04 109.761 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.129 -0.389 . . . . 74.4 112.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.486 ' HE3' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -99.74 147.62 25.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.257 0.551 . . . . 74.34 109.913 175.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 152.7 22.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 73.51 109.581 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.91 157.68 20.56 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 123.248 0.619 . . . . 63.52 109.586 168.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 26.8 m-85 -111.8 110.51 20.9 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.199 -1.037 . . . . 75.03 108.199 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 15' ' ' LEU . 29.7 m -103.4 107.17 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-O 121.727 0.775 . . . . 75.32 110.297 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.548 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 32.5 t0 -81.99 98.31 8.53 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.618 -0.882 . . . . 62.13 108.618 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.58 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 9.5 t -97.33 137.01 36.98 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 115.795 -0.639 . . . . 73.32 112.439 -168.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.534 HG12 HD23 ' C' ' 765' ' ' LEU . 27.5 m -95.4 130.9 43.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.612 -1.176 . . . . 73.13 109.738 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -128.89 98.32 4.92 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.052 -0.721 . . . . 74.02 109.052 171.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -102.7 127.52 49.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.91 1.284 . . . . 74.32 108.814 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.39 109.99 6.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.499 0.72 . . . . 70.25 109.804 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 60.5 m -81.28 109.97 16.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.495 0.718 . . . . 73.21 109.9 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mm -95.99 169.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 108.242 -1.021 . . . . 73.2 108.242 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 35.5 m -132.32 138.12 47.68 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.559 -0.713 . . . . 74.23 110.553 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.51 167.38 22.29 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.093 0.957 . . . . 74.2 109.062 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 1.4 tm-20 -125.02 132.13 53.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.144 -1.428 . . . . 74.14 107.144 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 1' ' ' MET . 8.7 p -139.35 164.09 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 117.865 0.302 . . . . 73.44 111.314 -172.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -104.31 151.42 39.09 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.364 -0.606 . . . . 72.21 109.364 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.41 -34.37 34.71 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.447 2.098 . . . . 75.11 112.096 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -75.74 -15.75 60.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 122.829 0.452 . . . . 73.24 111.802 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.67 148.06 50.96 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.983 -0.377 . . . . 75.3 109.983 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 7.7 p -77.9 161.95 27.2 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.791 0.682 . . . . 75.01 110.035 169.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.534 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 46.5 mm -64.94 -27.76 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.262 -0.881 . . . . 71.33 109.447 172.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -43.35 -45.34 6.0 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.505 1.522 . . . . 74.45 111.721 170.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.48 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 55.1 m-80 -55.87 -54.35 45.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.702 0.626 . . . . 74.33 110.737 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.18 -52.01 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.087 0.955 . . . . 73.4 111.216 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.12 73.54 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.066 -0.515 . . . . 74.24 111.808 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.99 60.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.585 0.354 . . . . 72.13 111.407 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 9.2 mmpt? -74.57 -49.06 23.27 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.998 -0.371 . . . . 75.41 109.998 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.528 ' HB ' HD13 ' B' ' 136' ' ' ILE . 16.4 pt -67.86 -27.1 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 121.905 0.082 . . . . 64.53 111.103 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.52 -41.64 68.97 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.356 0.662 . . . . 75.0 111.256 170.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.91 -50.02 75.39 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.448 0.642 . . . . 54.21 110.002 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -75.94 -70.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.441 -1.254 . . . . 74.43 111.034 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.39 -10.59 27.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.139 0.576 . . . . 73.02 112.271 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.96 31.96 54.29 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 120.053 -0.304 . . . . 75.2 113.298 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.528 HD13 ' HB ' ' B' ' 130' ' ' ILE . 52.5 mt -75.59 111.18 13.04 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.222 0.609 . . . . 74.43 110.033 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.496 ' O ' ' HB2' ' B' ' 141' ' ' GLN . 10.8 Cg_exo -71.9 123.21 9.14 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.411 2.741 . . . . 75.21 111.937 -174.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.29 -28.85 73.84 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 123.891 3.061 . . . . 72.54 112.593 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.015 -1.448 . . . . 75.04 110.838 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.459 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 24.7 mt-30 -109.25 20.71 17.99 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.989 0.915 . . . . 71.02 111.306 -172.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 137' ' ' PRO . 24.9 tt0 -102.38 100.02 10.13 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.911 0.884 . . . . 73.13 109.698 -171.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.492 ' HD2' ' HB3' ' B' ' 173' ' ' LEU . 60.2 ttt-85 -87.74 94.03 9.62 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.342 -0.984 . . . . 72.55 108.342 173.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' B' ' 150' ' ' LEU . 4.1 mp -77.47 143.88 38.18 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.351 -0.981 . . . . 74.53 108.351 174.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.06 119.61 11.7 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.987 -1.116 . . . . 74.44 107.987 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.531 ' HB2' HD23 ' B' ' 150' ' ' LEU . 28.1 t80 -133.35 100.42 4.83 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 107.991 -1.114 . . . . 70.22 107.991 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.45 32.77 6.87 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.036 0.835 . . . . 71.44 110.995 -171.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.29 2.58 65.8 Favored Glycine 0 C--N 1.358 1.775 0 N-CA-C 115.016 0.766 . . . . 73.2 115.016 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -111.12 127.84 55.7 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 117.826 0.813 . . . . 74.44 110.145 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.96 137.52 38.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 170.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -91.21 103.09 15.81 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.439 -0.948 . . . . 73.44 108.439 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.44 131.95 47.71 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 109.169 -0.678 . . . . 63.1 109.169 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.534 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.7 p-10 -62.0 -28.83 69.85 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.361 1.064 . . . . 71.21 113.03 -169.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.31 3.42 81.54 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 119.718 -0.49 . . . . 61.12 114.076 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.72 176.59 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.018 0.927 . . . . 75.51 108.842 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 3.5 p -112.51 169.4 8.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.24 0.616 . . . . 73.24 110.426 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -38.95 88.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.865 -1.061 . . . . 73.54 109.147 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.2 t -62.93 -38.45 91.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.597 0.759 . . . . 71.0 110.391 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.93 -23.88 55.43 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.887 0.875 . . . . 75.02 111.688 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -111.13 0.64 16.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.56 0.744 . . . . 73.13 112.579 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.48 55.91 8.02 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 122.298 1.047 . . . . 72.43 110.125 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.547 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 10.4 mm -69.35 117.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 114.616 -1.174 . . . . 75.11 109.974 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . 0.492 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -87.43 150.55 23.71 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 123.393 0.677 . . . . 74.33 110.026 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -56.97 144.86 32.26 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.872 -0.788 . . . . 74.42 108.872 170.087 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.258 0.2 OUTLIER 54.8 24.08 5.41 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.665 1.586 . . . . 65.44 113.417 -177.315 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.492 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 64.7 p -60.64 138.11 58.1 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 119.668 -0.206 . . . . 75.45 111.28 168.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.97 34.48 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.413 -0.588 . . . . 72.11 109.413 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 109.09 7.92 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.254 -1.017 . . . . 64.3 108.254 -171.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' A' ' 6' ' ' ASP . 3.5 pt -98.84 141.4 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 CA-C-N 118.816 0.735 . . . . 75.22 111.019 -170.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 91.7 mt -106.43 113.48 27.02 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.999 1.32 . . . . 75.44 109.283 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.85 159.58 16.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.336 1.054 . . . . 73.14 109.391 170.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.19 154.44 39.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.646 -0.501 . . . . 71.42 109.646 168.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.459 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.4 t -42.28 114.01 0.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.247 1.419 . . . . 70.23 113.204 -175.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . 0.492 ' HB3' ' HD2' ' B' ' 142' ' ' ARG . 33.9 tp -172.31 171.97 4.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.711 1.204 . . . . 73.24 107.818 -172.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.218 0 N-CA-C 108.662 -0.866 . . . . 75.34 108.662 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.764 -0.535 . . . . 74.11 111.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 23.5 m -102.44 102.75 13.09 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.789 0.836 . . . . 62.43 109.391 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -148.92 139.72 22.8 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.518 0.727 . . . . 75.12 109.827 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 61.3 p -178.79 -34.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.99 1.316 . . . . 74.31 109.008 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.61 -86.75 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.246 1.418 . . . . 75.04 111.543 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 42.1 m -139.42 -177.21 4.83 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 72.42 110.938 -173.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -156.51 107.08 0.31 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.92 -1.672 . . . . 74.54 108.92 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 63.5 mtm -86.83 -30.33 21.56 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.471 0.545 . . . . 72.43 112.471 -167.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -158.68 101.6 1.66 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.95 0.9 . . . . 61.44 109.204 -175.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 20.2 m -71.32 71.72 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.658 1.183 . . . . 65.22 110.522 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -179.21 -47.18 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.025 2.13 . . . . 74.51 106.779 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -86.38 -49.71 7.44 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 114.241 -1.345 . . . . 73.21 112.142 -175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -52.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 124.75 1.281 . . . . 72.24 111.108 -170.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 0.4 OUTLIER -45.92 -51.94 12.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.382 1.473 . . . . 73.45 113.589 -176.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' C' ' 747' ' ' LYS . 38.9 mtmt -60.19 -56.4 22.07 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.65 0.738 . . . . 64.21 111.101 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -48.06 -42.96 29.94 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 113.754 -1.566 . . . . 74.31 111.751 172.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' C' ' 753' ' ' LEU . 42.9 mt-10 -70.96 -29.6 65.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.379 -0.828 . . . . 73.54 110.858 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 14.6 mm-40 -65.98 -43.91 86.41 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.944 -0.762 . . . . 75.03 108.944 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.7 -47.6 84.0 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.298 0.999 . . . . 74.44 110.365 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.42 -29.93 69.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.677 -1.147 . . . . 74.02 109.797 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . 0.602 HD21 ' NE2' ' A' ' 49' ' ' GLN . 1.3 tm? -75.75 -33.39 60.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.029 0.932 . . . . 75.02 110.092 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -70.3 -31.73 69.18 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.198 -0.668 . . . . 73.03 109.198 172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -74.72 -31.87 61.98 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.16 -0.473 . . . . 74.55 110.792 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 37.7 m -67.36 -32.71 73.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.887 -0.782 . . . . 73.03 108.887 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.446 ' HA ' HD23 ' A' ' 70' ' ' LEU . 10.3 m-85 -62.49 -67.95 0.37 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 115.707 -0.679 . . . . 75.53 109.636 170.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.47 -30.91 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 O-C-N 123.563 0.539 . . . . 75.33 111.981 -166.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' C' ' 817' ' ' LEU . 7.3 tt0 -76.25 -54.88 6.15 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.134 -0.354 . . . . 72.04 110.833 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 73' ' ' LEU . . . -70.43 -19.09 63.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.95 0.5 . . . . 70.24 111.876 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.655 ' HB2' HD11 ' C' ' 765' ' ' LEU . 26.6 ptm -85.19 -53.02 5.52 Favored 'General case' 0 CA--C 1.556 1.175 0 CA-C-O 118.796 -0.621 . . . . 74.23 110.036 170.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.488 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 24.2 mt -67.83 -17.13 64.41 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 118.966 0.803 . . . . 74.43 112.779 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 763' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 73' ' ' LEU . 15.2 t -64.45 -18.49 64.8 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.555 0.693 . . . . 74.33 110.315 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.09 -44.74 3.9 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.179 0.992 . . . . 71.32 109.949 171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' C' ' 761' ' ' MET . 33.5 mt -97.03 25.99 5.0 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.438 1.095 . . . . 74.41 112.461 -164.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.423 ' HA ' HD22 ' C' ' 762' ' ' LEU . 5.7 pt-20 -64.24 76.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.655 0.983 . . . . 62.55 113.655 -170.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 26.3 m -174.52 20.21 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.328 1.451 . . . . 60.52 110.511 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.517 HD21 HH11 ' C' ' 772' ' ' ARG . 98.5 mt -104.41 118.98 37.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.946 -0.471 . . . . 72.24 110.759 -166.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 769' ' ' SER . . . . . 0.585 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 23.0 t -66.28 162.53 19.93 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.593 0.757 . . . . 75.14 111.325 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.408 ' HB2' ' HE2' ' C' ' 815' ' ' TYR . 0.2 OUTLIER -54.5 -43.89 72.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 114.334 -1.303 . . . . 73.43 110.292 178.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.24 -44.33 75.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.801 0.84 . . . . 75.25 111.994 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.517 HH11 HD21 ' C' ' 768' ' ' LEU . 76.3 mtt180 -64.87 -59.75 3.84 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.175 -0.92 . . . . 74.33 109.959 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.412 HD13 HD12 ' C' ' 799' ' ' LEU . 2.6 pp -66.58 -20.44 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.357 -1.292 . . . . 64.23 110.858 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.85 -57.94 7.53 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.487 0.715 . . . . 75.1 109.538 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -56.43 -38.56 71.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.824 0.702 . . . . 71.24 111.223 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.481 ' SD ' ' HE1' ' C' ' 761' ' ' MET . 68.7 mtp -62.98 -59.1 5.29 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.473 -0.785 . . . . 71.35 111.724 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.414 HD23 HD12 ' C' ' 795' ' ' LEU . 7.3 mp -60.61 -32.1 71.24 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.242 0.617 . . . . 74.42 112.157 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -58.65 -53.43 58.4 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 123.988 0.805 . . . . 71.02 109.697 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 779' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' C' ' 780' ' ' PHE . 1.3 tmt? -50.2 -56.57 10.51 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.825 0.703 . . . . 73.31 110.37 173.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . 0.452 ' CD1' ' SD ' ' C' ' 779' ' ' MET . 16.7 m-85 -58.99 -33.39 70.64 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 113.376 0.88 . . . . 75.44 113.376 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.406 HG11 HG12 ' C' ' 790' ' ' ILE . 3.6 p -88.94 -29.88 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 112.145 0.424 . . . . 74.21 112.145 -175.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.98 -26.8 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 122.583 0.353 . . . . 72.2 111.154 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 20.3 p -65.23 -24.81 67.44 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.43 0.456 . . . . 75.11 111.145 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -116.12 170.46 13.35 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 123.918 0.761 . . . . 63.23 111.889 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -82.81 4.68 6.92 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.802 2.335 . . . . 64.0 111.878 169.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.43 112.87 0.65 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.963 1.705 . . . . 70.21 112.075 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 13.6 mt 66.34 9.02 6.09 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.792 1.237 . . . . 74.25 112.237 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 54.87 38.97 31.23 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.442 1.097 . . . . 64.52 111.446 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 73.74 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.175 1.79 . . . . 74.43 111.483 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.406 HG12 HG11 ' C' ' 781' ' ' VAL . 44.6 pt -74.23 156.71 6.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 123.34 0.656 . . . . 73.44 110.631 172.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.96 173.01 6.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.613 1.165 . . . . 72.01 108.943 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.55 -49.82 66.84 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.951 1.3 . . . . 72.32 111.631 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.47 68.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.561 0.344 . . . . 72.22 111.281 -178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.11 -51.73 43.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.154 0.582 . . . . 74.51 110.127 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.414 HD12 HD23 ' C' ' 777' ' ' LEU . 16.8 tp -68.2 -53.23 26.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.406 -0.815 . . . . 75.23 111.198 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.36 -40.86 87.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.543 0.737 . . . . 74.53 110.619 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.62 96.04 Favored Glycine 0 C--N 1.351 1.395 0 O-C-N 123.913 0.758 . . . . 62.33 113.364 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -64.81 -43.89 91.66 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.469 0.708 . . . . 75.34 110.289 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.412 HD12 HD13 ' C' ' 773' ' ' ILE . 52.6 mt -69.88 -42.27 73.66 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.709 1.204 . . . . 74.13 111.384 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.24 -47.82 83.94 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.419 1.088 . . . . 74.22 109.495 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -51.05 71.02 Favored 'General case' 0 C--O 1.211 -0.936 0 O-C-N 124.68 1.238 . . . . 75.25 110.355 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.603 ' HZ2' ' HB2' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -56.78 -41.57 77.91 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.907 1.283 . . . . 74.33 113.551 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.7 t -70.63 -41.42 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.664 0.786 . . . . 50.24 110.393 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.45 -10.4 59.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.309 0.644 . . . . 73.44 111.483 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.58 -4.37 59.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.202 1.001 . . . . 71.33 108.985 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 70.54 12.03 7.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.755 1.622 . . . . 73.42 112.603 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.6 8.97 23.02 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.326 0.651 . . . . 74.43 111.389 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 1.2 tt -145.85 143.3 29.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.725 -1.583 . . . . 74.22 106.725 169.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 39.8 t -112.62 124.82 69.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 123.495 0.718 . . . . 75.23 109.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -93.39 107.12 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.83 -1.174 . . . . 73.44 107.83 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.418 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.6 t -79.4 -153.32 0.07 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 108.208 -1.034 . . . . 70.12 108.208 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -67.94 77.63 0.22 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.719 0.69 . . . . 73.32 110.417 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.46 13.14 77.45 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.066 -0.97 . . . . 65.45 114.361 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' C' ' 769' ' ' SER . 11.4 m -124.47 147.7 28.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 117.855 0.827 . . . . 71.43 110.183 175.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . 0.408 ' HE2' ' HB2' ' C' ' 770' ' ' LEU . 92.0 m-85 -94.86 134.39 37.55 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.291 0.636 . . . . 70.12 110.226 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -154.66 142.75 20.26 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.772 -1.104 . . . . 72.44 108.616 -176.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 73.0 mt -85.52 142.26 37.29 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 112.025 0.38 . . . . 74.13 112.025 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.73 118.64 4.21 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.877 2.385 . . . . 73.33 111.866 172.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -74.37 -16.66 60.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.928 0.491 . . . . 65.11 111.129 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.15 84.79 0.74 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 121.824 0.821 . . . . 71.21 110.443 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 60.7 m -85.62 -47.29 9.97 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.258 -0.883 . . . . 73.13 109.69 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 123.889 0.876 . . . . 72.45 109.434 -178.444 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.857 -0.497 . . . . 64.42 111.857 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.62 149.2 31.1 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.169 0.588 . . . . 72.12 110.303 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.592 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -97.6 149.84 21.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.837 -0.801 . . . . 75.43 108.837 -173.41 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -137.93 153.53 27.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 CA-C-O 121.265 0.555 . . . . 71.12 110.521 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.491 ' HB3' HG21 ' B' ' 112' ' ' THR . 22.6 m-85 -106.64 108.15 19.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.152 -1.385 . . . . 74.13 108.167 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.643 HG11 HG21 ' B' ' 130' ' ' ILE . 35.1 t -96.77 97.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.45 -0.944 . . . . 71.43 108.45 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.03 109.21 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.327 -0.62 . . . . 74.01 109.327 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 7.7 t -90.05 142.72 27.44 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.745 -0.661 . . . . 41.33 109.439 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.58 120.0 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 122.081 0.943 . . . . 72.24 108.967 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -101.76 84.75 2.6 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.888 -1.051 . . . . 55.32 108.713 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.513 ' HB2' HD13 ' C' ' 765' ' ' LEU . 8.5 t-105 -100.72 103.14 14.38 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 105.762 -1.94 . . . . 73.32 105.762 168.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -152.7 131.78 12.65 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.483 0.549 . . . . 75.03 112.483 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.5 HG23 ' HB3' ' B' ' 104' ' ' PHE . 5.2 m -92.8 107.27 19.09 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.394 -1.275 . . . . 75.1 109.11 176.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 mt -94.42 170.45 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.754 1.222 . . . . 74.23 109.244 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.9 m -125.65 133.88 52.05 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.391 0.676 . . . . 73.22 110.257 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -136.65 169.32 17.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.665 1.186 . . . . 73.32 108.528 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HG2' ' HB3' ' B' ' 102' ' ' GLN . 31.0 mt-10 -120.2 145.61 46.82 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.569 0.748 . . . . 71.31 110.49 173.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' HE2' ' B' ' 101' ' ' MET . 14.9 p -154.36 167.51 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 CA-C-N 114.741 -1.118 . . . . 74.04 110.622 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.66 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 40.1 mm-40 -100.59 148.32 34.82 Favored Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 123.544 0.738 . . . . 74.24 110.593 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 54.0 Cg_endo -67.38 -32.82 31.6 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.995 2.463 . . . . 70.54 112.433 -178.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -90.87 -3.29 57.47 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.222 -0.899 . . . . 72.52 111.813 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.66 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -77.97 170.72 16.12 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.847 0.459 . . . . 73.55 109.995 -178.299 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.408 ' HB ' ' HG3' ' A' ' 24' ' ' GLU . 3.3 p -89.3 163.72 15.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.741 0.781 . . . . 73.11 112.432 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 HD13 HD11 ' A' ' 50' ' ' LEU . 48.0 mm -78.87 -32.31 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 114.407 -1.27 . . . . 71.3 110.51 176.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.695 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -62.01 -30.12 70.74 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.378 0.671 . . . . 52.52 110.979 176.371 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.7 t30 -56.96 -59.18 5.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.969 -1.014 . . . . 75.51 109.896 170.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -58.94 -40.85 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.366 1.066 . . . . 62.54 110.828 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HD3' ' HG3' ' A' ' 38' ' ' PRO . 3.7 tmmm? -57.36 -49.25 76.77 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.079 1.351 . . . . 75.14 110.633 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.13 70.27 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.836 -0.62 . . . . 73.13 111.102 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.7 mmtp -65.85 -44.95 83.92 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.113 0.565 . . . . 74.44 111.189 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.439 ' HB ' HD12 ' A' ' 36' ' ' ILE . 19.9 pt -73.27 -30.15 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 110.475 -0.194 . . . . 72.45 110.475 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -71.48 -27.35 63.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.05 0.54 . . . . 71.41 110.627 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.55 -51.31 10.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.873 0.869 . . . . 73.44 110.611 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 7.9 mtmp? -89.69 -46.91 8.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.422 -0.808 . . . . 71.14 111.633 -170.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.41 -22.62 17.04 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 122.875 0.47 . . . . 74.44 110.996 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 23.47 61.05 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.16 0.288 . . . . 52.44 113.694 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.464 HG22 HD21 ' A' ' 69' ' ' LEU . 83.0 mt -73.26 115.05 37.09 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 123.671 0.788 . . . . 75.11 110.756 -176.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -83.74 108.29 1.43 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.635 2.89 . . . . 73.15 111.388 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.518 ' HG3' ' HD3' ' A' ' 27' ' ' LYS . 54.9 Cg_endo -62.51 -30.76 80.11 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 123.417 2.745 . . . . 73.1 113.209 -172.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -39.61 78.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.789 1.236 . . . . 71.41 111.412 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -108.58 1.85 21.68 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.569 -0.741 . . . . 74.55 111.143 -178.192 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -124.27 98.94 5.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.571 -0.9 . . . . 71.52 108.571 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -78.34 107.28 10.84 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 109.32 -0.622 . . . . 74.03 109.32 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.5 mp -77.76 143.86 37.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.422 -0.808 . . . . 70.23 109.617 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 68.9 mt -140.49 128.2 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.029 0.932 . . . . 70.44 109.287 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CD2' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -114.33 107.26 15.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.447 1.099 . . . . 73.11 109.09 -178.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB2' ' HB ' ' C' ' 783' ' ' THR . . . 58.92 28.14 17.18 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.072 0.858 . . . . 63.4 112.593 171.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.24 11.14 57.7 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.932 0.733 . . . . 64.23 114.932 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -132.06 114.01 14.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.526 0.663 . . . . 71.34 109.358 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 13.9 pt20 -66.86 137.91 56.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.83 0.852 . . . . 75.14 111.121 -174.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 3.6 mm? -73.96 152.15 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.131 0.572 . . . . 73.33 111.553 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -143.72 126.96 16.63 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.721 1.208 . . . . 63.54 108.466 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.695 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 56.1 m-20 -50.58 -41.78 54.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.575 1.55 . . . . 75.14 113.805 -169.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.02 54.52 Favored Glycine 0 C--N 1.336 0.581 0 CA-C-N 115.664 -0.698 . . . . 63.43 114.638 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.5 177.24 5.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.424 0.689 . . . . 73.34 109.887 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -106.19 166.4 10.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.218 1.007 . . . . 73.33 109.469 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 HD13 HG23 ' A' ' 61' ' ' ILE . 3.8 mm? -64.24 -55.49 21.19 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.199 0.6 . . . . 74.53 110.618 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -64.26 -14.77 57.81 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.354 0.872 . . . . 74.42 113.354 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.51 -38.77 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.396 0.678 . . . . 74.33 109.894 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' HB2' HG13 ' A' ' 61' ' ' ILE . 23.4 m-85 -94.1 4.29 54.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.676 0.79 . . . . 72.32 110.992 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.94 40.25 7.47 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.442 1.115 . . . . 71.14 109.517 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 59' ' ' TYR . 92.8 mt -73.79 94.81 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 114.315 -1.311 . . . . 75.02 109.597 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -89.42 -172.31 3.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.168 -1.378 . . . . 75.44 110.18 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' B' ' 101' ' ' MET . 37.3 ttmt -70.97 151.9 44.17 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.654 -0.498 . . . . 74.13 109.654 173.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 51.41 22.61 1.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.89 2.076 . . . . 73.35 113.405 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -78.17 130.44 36.34 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.945 -0.761 . . . . 72.11 108.945 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.37 116.16 29.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.613 0.72 . . . . 65.13 111.528 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 43' ' ' LEU . 2.6 tt -91.01 125.88 35.93 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.916 -1.513 . . . . 74.14 106.916 172.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 tt -105.65 133.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.34 -0.985 . . . . 72.15 108.34 170.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 HD21 HG22 ' A' ' 36' ' ' ILE . 5.2 mp -107.13 113.56 27.08 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.071 -0.715 . . . . 74.4 109.071 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' C' ' 760' ' ' ALA . 4.6 mp -95.85 125.04 40.14 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.129 -1.434 . . . . 73.14 107.129 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.77 175.11 8.28 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 111.67 0.248 . . . . 71.41 111.67 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.525 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 38.0 m -38.53 96.45 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.212 1.405 . . . . 72.1 112.608 174.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -84.65 -44.01 13.85 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.581 -1.266 . . . . 75.35 107.581 163.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.6 tpm_? . . . . . 0 C--O 1.258 1.51 0 CA-C-N 114.735 -1.12 . . . . 75.41 108.478 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . 0.448 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.476 1.331 0 N-CA-C 112.396 -0.282 . . . . 65.51 112.396 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.503 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -152.62 168.49 25.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.3 0.64 . . . . 73.3 110.654 -176.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -119.28 125.41 49.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.825 -1.176 . . . . 71.2 107.825 176.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.25 174.5 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.187 0.595 . . . . 75.33 110.169 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 12' ' ' THR . 22.7 m-85 -114.92 143.82 44.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.757 -0.656 . . . . 73.0 109.568 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.46 106.71 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-O 121.876 0.846 . . . . 71.21 110.131 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.498 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.5 t0 -88.42 99.83 12.57 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.817 1.247 . . . . 74.4 109.097 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 9.7 t -103.77 138.7 40.01 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 123.476 0.71 . . . . 74.45 111.218 -173.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 p -108.51 108.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 114.576 -1.193 . . . . 71.43 108.44 169.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -142.13 163.14 33.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.809 0.844 . . . . 64.5 109.481 175.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -95.02 173.49 7.55 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.903 0.481 . . . . 74.42 109.866 170.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.5 114.13 4.03 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.653 -0.703 . . . . 73.54 109.457 167.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.491 HG21 ' HB3' ' A' ' 4' ' ' PHE . 52.0 m -81.62 122.98 28.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.772 0.829 . . . . 72.11 110.351 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.448 HD13 ' HG3' ' B' ' 134' ' ' GLU . 15.0 mm -102.23 108.95 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.614 -0.884 . . . . 75.31 108.614 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.7 p -87.62 113.53 23.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 72.43 110.077 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.97 135.78 31.52 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 110.503 -0.184 . . . . 65.14 110.503 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.3 tt0 -79.79 141.79 35.94 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.992 -0.744 . . . . 73.01 108.992 173.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.98 167.46 26.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.05 0.94 . . . . 73.14 108.828 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -109.18 152.3 42.48 Favored Pre-proline 0 N--CA 1.477 0.919 0 N-CA-C 109.067 -0.716 . . . . 75.43 109.067 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.56 -34.41 75.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.179 1.919 . . . . 72.41 111.577 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.8 p -82.64 -1.63 51.58 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.353 1.061 . . . . 62.44 112.312 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -80.98 164.32 22.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 73.55 110.2 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -99.37 166.43 11.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.639 0.775 . . . . 74.11 110.313 170.496 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 44.6 mm -64.66 -25.91 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.109 0.964 . . . . 74.01 110.395 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.19 -25.7 67.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.238 0.615 . . . . 71.22 111.027 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.91 -50.91 45.47 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 123.498 0.719 . . . . 71.12 109.929 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.08 -46.14 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.519 0.728 . . . . 74.32 109.707 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -52.08 -54.81 25.75 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.481 -1.69 . . . . 73.21 111.338 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.02 65.16 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.78 -0.645 . . . . 61.33 111.585 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -74.92 -46.34 36.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 74.11 110.984 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.643 HG21 HG11 ' A' ' 5' ' ' VAL . 26.9 pt -69.24 -29.68 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 120.874 0.369 . . . . 73.42 110.344 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -73.83 -36.46 64.94 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.562 0.745 . . . . 73.03 111.315 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.14 -49.4 57.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.464 0.706 . . . . 73.3 110.725 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -75.26 -60.99 2.05 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.503 -1.226 . . . . 63.53 110.976 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . 0.448 ' HG3' HD13 ' B' ' 113' ' ' ILE . 38.7 mm-40 -102.25 -9.8 20.1 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.876 -0.602 . . . . 71.51 112.346 -166.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.62 16.77 80.44 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 119.256 -0.747 . . . . 74.43 113.56 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.558 HD12 ' HB ' ' B' ' 130' ' ' ILE . 71.1 mt -62.6 115.99 20.44 Favored Pre-proline 0 C--N 1.361 1.07 0 C-N-CA 123.032 0.533 . . . . 74.2 109.69 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 73.0 Cg_endo -80.72 113.76 2.86 Favored 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.456 2.104 . . . . 73.14 110.229 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.51 -38.96 30.34 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.85 2.367 . . . . 71.23 113.661 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.47 -34.02 75.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.325 -0.852 . . . . 75.22 110.705 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.532 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.4 OUTLIER -89.78 -24.15 21.56 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.103 0.961 . . . . 74.31 111.098 -177.374 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -132.87 103.8 6.26 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.209 1.004 . . . . 73.44 108.751 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -84.7 130.8 34.65 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.533 0.733 . . . . 74.3 111.38 -174.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.78 134.67 35.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.516 0.726 . . . . 64.41 110.249 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . 0.428 ' HB3' HG22 ' B' ' 168' ' ' ILE . 22.1 t70 -132.03 145.49 51.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.142 0.977 . . . . 74.34 109.183 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -130.76 103.62 6.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.882 0.873 . . . . 65.14 109.778 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.41 29.44 19.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.252 1.021 . . . . 75.51 112.557 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.29 -8.37 69.47 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 116.133 -0.485 . . . . 72.44 113.41 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -106.62 115.62 30.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.869 0.868 . . . . 75.22 109.403 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . 0.698 ' HG2' ' HD3' ' B' ' 174' ' ' ARG . 16.1 mt-30 -67.73 149.03 50.49 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.361 0.664 . . . . 74.1 110.425 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 65.5 mt -92.34 122.12 34.49 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.793 -0.639 . . . . 71.33 109.63 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.491 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -70.32 126.84 30.81 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.241 -1.392 . . . . 71.24 107.241 171.231 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.04 -38.87 73.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.755 1.222 . . . . 75.44 113.498 -166.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -104.64 21.87 35.52 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.8 -0.444 . . . . 75.03 113.218 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.491 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 17.4 ttm180 -96.02 168.88 10.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.563 0.745 . . . . 75.22 109.268 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 17.7 m -102.78 153.76 19.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.926 0.785 . . . . 73.51 110.947 -169.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.41 HD11 HG23 ' B' ' 161' ' ' ILE . 3.3 mm? -65.41 -40.61 93.6 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.522 0.729 . . . . 74.24 110.717 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 59.6 m -57.28 -35.62 70.03 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.157 0.583 . . . . 75.13 112.07 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.76 -33.39 66.55 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.056 0.848 . . . . 61.34 111.074 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.92 -9.95 27.39 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 119.103 -0.475 . . . . 75.15 111.002 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 60.24 54.09 4.15 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.465 1.126 . . . . 73.22 109.727 -174.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 156' ' ' LEU . 3.7 mm -72.22 130.98 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 114.118 -1.401 . . . . 75.13 110.057 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.01 169.24 9.82 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 123.502 0.721 . . . . 74.2 110.831 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 143.33 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 115.362 -0.835 . . . . 72.4 108.785 171.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER 53.47 28.97 8.23 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.965 1.706 . . . . 74.34 114.118 -175.211 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 67.5 m -64.21 111.47 2.6 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 110.24 -0.282 . . . . 65.25 110.24 162.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . . . -86.97 143.16 27.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.681 0.792 . . . . 65.24 110.53 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 1.4 mt -132.76 143.14 49.39 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.346 1.058 . . . . 75.43 109.91 -171.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' B' ' 144' ' ' ASP . 9.6 tt -111.32 121.16 63.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.404 0.682 . . . . 74.25 109.884 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.559 HD11 HG12 ' A' ' 5' ' ' VAL . 10.2 mp -87.59 119.56 28.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.541 -0.754 . . . . 73.54 110.52 171.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . 0.521 ' HB2' ' HG2' ' B' ' 174' ' ' ARG . 5.8 mp -102.37 164.87 11.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.468 1.107 . . . . 75.11 108.141 169.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' B' ' 172' ' ' THR . 28.9 tp -65.94 163.58 16.84 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 122.846 0.458 . . . . 72.02 110.614 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.506 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.1 t -40.73 138.12 1.05 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.436 1.494 . . . . 72.43 112.644 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 61.53 93.65 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.605 1.162 . . . . 73.42 109.18 -169.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.698 ' HD3' ' HG2' ' B' ' 149' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 118.281 -0.866 . . . . 74.11 108.861 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 111.889 -0.485 . . . . 73.53 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 40.1 t -77.54 85.5 3.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.902 -0.777 . . . . 75.24 108.902 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.76 85.59 0.83 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.858 0.863 . . . . 75.12 109.518 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 736' ' ' SER . . . . . 0.404 ' HB3' HD11 ' C' ' 752' ' ' LEU . 23.0 t -169.05 37.92 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 122.751 0.42 . . . . 74.02 112.084 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.32 145.49 43.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.88 -0.513 . . . . 63.24 110.659 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 12.7 m -56.51 -43.86 80.17 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.999 0.92 . . . . 71.22 112.182 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 87.63 -79.86 1.72 Allowed Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.78 -0.646 . . . . 71.21 111.515 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 30.5 mmt -70.0 95.47 0.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.412 0.625 . . . . 75.43 110.069 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . 0.814 ' HA ' ' HB2' ' C' ' 745' ' ' ASP . . . -90.43 63.34 5.57 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.027 -0.988 . . . . 71.34 110.864 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.4 m -143.65 80.96 1.68 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.08 -0.963 . . . . 73.11 110.388 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 78.63 -50.31 0.46 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 126.015 1.726 . . . . 75.44 112.281 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.31 66.78 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.692 1.197 . . . . 61.43 111.569 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.814 ' HB2' ' HA ' ' C' ' 741' ' ' ALA . 26.8 t70 -53.7 -59.69 4.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.081 1.352 . . . . 73.53 112.416 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 11.1 pt20 -62.56 -37.81 87.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 124.285 0.991 . . . . 75.01 111.61 -175.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.93 -43.14 75.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.091 0.957 . . . . 72.54 110.838 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -55.56 -46.84 77.1 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.985 -1.462 . . . . 73.24 111.032 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -68.86 -31.16 69.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.585 0.553 . . . . 72.34 110.134 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 38.4 mm-40 -60.89 -60.11 4.32 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 108.291 -1.003 . . . . 74.45 108.291 172.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.11 -38.74 53.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.863 1.265 . . . . 73.01 111.421 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' C' ' 736' ' ' SER . 6.8 tt -73.49 -33.45 64.82 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.558 0.743 . . . . 74.24 110.377 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -43.91 83.65 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.013 -0.736 . . . . 74.54 109.013 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.564 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 73.9 m-85 -57.06 -44.76 83.35 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.455 0.702 . . . . 73.15 110.166 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.545 ' O ' ' HG3' ' C' ' 759' ' ' GLN . 31.3 t-105 -58.98 -45.75 89.83 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.459 -1.246 . . . . 75.23 110.111 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 97.2 m -59.31 -36.17 75.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.883 0.873 . . . . 71.31 110.716 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.564 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 38.1 m-85 -62.46 -54.91 33.08 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 110.104 -0.332 . . . . 73.33 110.104 173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.477 HG13 ' O ' ' C' ' 754' ' ' PHE . 49.9 mt -61.37 -49.26 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.139 0.899 . . . . 73.5 112.098 -173.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' C' ' 755' ' ' TRP . 0.0 OUTLIER -80.93 -32.45 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.084 -0.96 . . . . 74.44 112.374 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.552 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -74.68 -25.28 59.06 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 119.316 0.962 . . . . 63.23 111.549 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 19.5 ptp -73.64 -54.66 7.63 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.168 -1.049 . . . . 74.32 108.168 166.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' C' ' 816' ' ' ARG . 20.5 mt -62.35 -10.96 12.8 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.342 1.457 . . . . 73.21 113.698 -178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 61.4 m -52.71 -28.04 20.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.536 0.735 . . . . 73.12 110.483 169.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -142.79 -21.49 0.65 Allowed 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.211 1.004 . . . . 74.11 111.613 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.534 HD22 HD13 ' C' ' 768' ' ' LEU . 16.2 tp -96.25 41.04 1.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.851 1.26 . . . . 74.12 109.426 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.13 80.72 0.69 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.934 0.894 . . . . 74.24 112.556 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 28.5 p 169.2 72.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.474 1.51 . . . . 74.43 109.79 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.534 HD13 HD22 ' C' ' 765' ' ' LEU . 86.9 mt -126.61 113.55 16.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.409 0.684 . . . . 64.23 111.371 -174.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.7 t -67.55 153.29 44.02 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 115.369 -0.832 . . . . 73.14 109.728 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.594 HD11 HD13 ' C' ' 773' ' ' ILE . 0.1 OUTLIER -52.21 -41.74 62.96 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.326 1.016 . . . . 74.03 110.074 174.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.39 -56.51 14.45 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.99 0.916 . . . . 64.45 111.155 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -58.15 -55.01 40.54 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 114.007 -1.451 . . . . 72.45 111.587 -173.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.594 HD13 HD11 ' C' ' 770' ' ' LEU . 2.8 pp -68.62 -23.69 28.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-N 115.995 -0.548 . . . . 64.4 111.034 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -65.04 -44.64 88.39 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.19 0.45 . . . . 74.53 110.061 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -61.4 -43.45 98.85 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.218 0.324 . . . . 75.42 110.686 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 92.5 mmm -56.42 -64.22 0.94 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.805 0.69 . . . . 72.33 111.136 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.528 ' HB3' HD11 ' C' ' 790' ' ' ILE . 0.7 OUTLIER -48.07 -52.41 20.36 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.554 1.542 . . . . 64.13 111.389 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -59.73 -38.87 82.89 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.654 0.781 . . . . 73.44 111.976 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 3.6 ttp -58.51 -45.75 88.13 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.964 0.79 . . . . 73.31 110.061 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 33.3 m-85 -66.14 -35.29 80.1 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.952 -0.567 . . . . 72.44 112.156 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.572 HG22 HG12 ' C' ' 790' ' ' ILE . 2.1 t -77.45 -29.0 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-N 118.096 0.407 . . . . 65.05 111.418 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 -30.55 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.914 -0.491 . . . . 65.23 110.344 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 783' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' A' ' 46' ' ' ALA . 33.6 p -73.19 -25.97 60.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.756 0.312 . . . . 72.13 111.015 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -133.4 91.41 0.26 Allowed Glycine 0 C--N 1.341 0.829 0 N-CA-C 109.958 -1.257 . . . . 75.1 109.958 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.65 13.63 0.21 Allowed 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.982 3.121 . . . . 72.5 115.28 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.93 -35.22 14.48 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.022 1.329 . . . . 74.15 113.727 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 67.6 mt -103.88 -17.54 14.99 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.403 0.681 . . . . 74.31 111.595 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.1 71.11 0.59 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.564 1.146 . . . . 75.3 111.87 -171.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 54.64 99.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.639 1.576 . . . . 64.45 113.603 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.572 HG12 HG22 ' C' ' 781' ' ' VAL . 35.0 pt -65.41 148.93 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.298 0.571 . . . . 74.11 110.452 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -102.46 170.71 7.89 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 115.554 -0.748 . . . . 72.32 110.107 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.32 -40.01 61.34 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 124.905 1.282 . . . . 75.23 111.826 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -76.04 -32.22 59.23 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 118.862 -0.589 . . . . 73.54 111.97 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.91 -61.08 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.232 -0.655 . . . . 73.23 109.232 169.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -50.45 65.86 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 114.224 -1.353 . . . . 73.41 111.752 -172.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.69 -48.56 79.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.261 0.624 . . . . 70.43 110.262 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.6 85.69 Favored Glycine 0 C--N 1.355 1.629 0 O-C-N 124.111 0.882 . . . . 60.23 113.244 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -64.94 -55.02 21.68 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.959 0.903 . . . . 64.44 109.64 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.471 HD13 HD13 ' C' ' 773' ' ' ILE . 74.7 mt -59.67 -43.51 93.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.549 1.14 . . . . 75.22 111.362 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.23 -47.64 80.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.611 1.194 . . . . 74.52 109.71 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -50.32 71.01 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 124.471 1.107 . . . . 74.35 110.948 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.3 mmtt -54.25 -39.71 67.07 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.787 0.662 . . . . 73.42 112.787 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 63.4 t -69.29 -42.76 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.69 0.796 . . . . 73.23 110.298 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -75.74 -9.39 58.55 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.767 0.827 . . . . 74.41 111.841 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.45 -1.6 35.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.947 0.899 . . . . 73.32 111.484 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.99 13.38 9.03 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.254 1.422 . . . . 74.44 111.943 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -92.41 -12.67 31.59 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.741 1.216 . . . . 74.12 110.562 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -133.61 139.73 46.69 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 106.919 -1.512 . . . . 71.43 106.919 172.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.85 116.17 47.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.766 -0.827 . . . . 74.54 108.766 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -91.95 106.91 18.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.646 -1.242 . . . . 74.13 107.646 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 14.5 t -76.26 -149.73 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.973 0.909 . . . . 64.44 109.539 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.41 74.5 1.9 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.135 0.493 . . . . 74.51 110.131 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.73 76.15 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 115.314 -0.857 . . . . 72.23 113.9 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.51 136.49 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 117.032 0.416 . . . . 75.23 110.512 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.6 139.79 30.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.779 0.832 . . . . 73.13 111.413 -174.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . 0.675 ' HA ' HD21 ' C' ' 762' ' ' LEU . 4.9 ppt_? -159.0 146.87 17.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.516 -0.92 . . . . 65.54 108.516 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 18.1 mt -76.57 150.79 82.43 Favored Pre-proline 0 N--CA 1.498 1.93 0 CA-C-N 118.963 0.802 . . . . 75.42 113.099 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -54.75 137.8 75.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.933 2.422 . . . . 71.2 111.43 161.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -85.88 2.1 47.25 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.021 0.529 . . . . 73.4 111.462 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -96.46 20.09 11.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.15 0.98 . . . . 73.31 110.142 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.44 -62.46 1.56 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.237 0.615 . . . . 73.32 110.116 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.254 1.293 0 C-N-CA 124.95 1.3 . . . . 74.21 111.566 -178.206 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.472 -0.251 . . . . 73.32 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.508 ' HE3' HG11 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -119.17 149.58 41.48 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.974 -0.75 . . . . 71.33 108.974 -178.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -98.11 148.9 23.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.421 0.688 . . . . 74.55 109.357 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 pt -131.97 155.59 41.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-O 120.913 0.387 . . . . 71.03 110.365 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -107.75 121.66 45.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.043 -1.095 . . . . 75.33 108.043 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -108.21 93.15 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.094 -1.076 . . . . 73.44 108.094 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.27 94.85 2.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.688 -1.142 . . . . 74.02 109.379 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -93.95 126.23 39.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.064 0.459 . . . . 74.43 109.976 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.83 127.79 72.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 121.939 0.876 . . . . 70.01 109.807 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.72 85.61 3.61 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.042 -1.466 . . . . 74.41 107.042 171.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.456 ' HA ' ' O ' ' B' ' 107' ' ' THR . 6.8 t-105 -105.56 104.98 14.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 106.632 -1.618 . . . . 74.53 106.632 173.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HE3' HD21 ' B' ' 171' ' ' LEU . 16.8 tppt? -158.38 128.09 5.86 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.643 -0.708 . . . . 74.3 111.445 -163.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' HB3' ' B' ' 104' ' ' PHE . 8.3 m -84.14 100.52 11.2 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.749 -0.834 . . . . 73.44 108.749 173.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 5.8 mt -92.36 172.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 125.051 1.34 . . . . 74.42 108.623 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -119.32 127.42 53.18 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.342 0.657 . . . . 73.42 109.355 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.35 170.09 16.47 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.834 -0.802 . . . . 72.12 108.834 170.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -116.47 136.87 52.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.756 0.313 . . . . 73.35 110.306 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 HG21 ' HE3' ' B' ' 101' ' ' MET . 2.2 m -120.59 167.36 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.219 1.008 . . . . 72.4 109.501 170.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.2 147.94 37.33 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 108.913 -0.773 . . . . 63.22 108.913 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.55 -34.18 65.19 Favored 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 122.738 2.292 . . . . 75.12 111.978 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 m -83.86 0.4 47.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.986 0.914 . . . . 72.14 112.095 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.76 156.28 26.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.113 0.565 . . . . 71.43 110.128 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 163.24 16.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.368 0.667 . . . . 72.32 110.279 170.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 50' ' ' LEU . 41.3 mm -67.76 -24.93 31.5 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 C-N-CA 123.971 0.908 . . . . 73.42 111.065 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.03 -30.61 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.761 -0.654 . . . . 74.11 110.507 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.95 -55.45 25.75 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.893 0.477 . . . . 75.34 109.888 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.56 -36.19 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 123.337 0.398 . . . . 72.41 111.093 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -40.11 85.39 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 110.136 -0.32 . . . . 74.2 110.136 173.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.99 65.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.739 0.416 . . . . 75.42 111.413 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.1 mmpt? -78.03 -46.44 20.94 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 119.1 -0.476 . . . . 72.3 110.397 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.472 HD13 HE22 ' A' ' 41' ' ' GLN . 29.8 pt -66.54 -26.87 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.358 0.599 . . . . 73.25 110.714 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.419 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 8.6 tt0 -71.24 -43.42 67.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.185 0.994 . . . . 73.34 111.321 171.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.3 -39.4 89.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.08 0.952 . . . . 65.0 110.855 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.38 -70.84 0.62 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 114.346 -1.297 . . . . 75.23 110.329 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.4 -27.95 31.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.14 0.576 . . . . 74.32 111.617 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.86 26.96 20.81 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.19 0.306 . . . . 75.32 112.967 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 HD13 ' HB ' ' A' ' 30' ' ' ILE . 68.5 mt -76.24 109.79 9.41 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.158 0.983 . . . . 70.31 109.359 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 6.3 Cg_exo -74.45 135.56 20.38 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.872 2.381 . . . . 72.13 111.951 -174.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 17.7 Cg_endo -56.31 -44.07 49.82 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 124.382 3.388 . . . . 73.21 113.542 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.52 -4.05 37.6 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.298 -0.865 . . . . 55.21 112.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.88 17.98 8.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.88 0.872 . . . . 74.51 112.03 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' NE2' HD23 ' A' ' 43' ' ' LEU . 20.5 pt20 -131.63 158.99 39.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.244 0.618 . . . . 73.34 111.675 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -142.79 127.68 18.33 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.534 -1.284 . . . . 74.23 107.534 169.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.536 HD23 ' NE2' ' A' ' 41' ' ' GLN . 50.4 mt -97.53 124.26 41.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.781 0.833 . . . . 74.31 110.357 -172.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' C' ' 757' ' ' TYR . 34.5 mm -118.86 107.95 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.028 -0.73 . . . . 73.33 109.028 172.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -110.43 104.26 13.0 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.262 -1.014 . . . . 64.13 108.262 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.81 30.96 16.71 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.03 0.832 . . . . 65.41 112.017 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 97.2 -9.55 65.28 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-N 115.304 -0.862 . . . . 73.31 114.572 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.57 147.88 23.69 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 117.66 0.73 . . . . 74.31 110.216 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -104.74 100.01 9.65 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.538 1.135 . . . . 72.01 108.183 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.559 ' HB3' HG21 ' A' ' 23' ' ' ILE . 7.8 mp -73.38 112.05 9.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.248 -1.342 . . . . 75.34 111.846 -169.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.79 127.72 33.12 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.856 1.348 . . . . 54.04 109.569 171.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.43 -38.86 69.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.468 1.107 . . . . 75.12 112.039 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.76 7.98 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.267 -0.879 . . . . 74.11 113.473 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.43 177.46 4.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.899 0.88 . . . . 73.14 109.02 172.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -108.12 155.18 20.7 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.759 0.824 . . . . 71.3 109.646 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.48 -48.65 80.83 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.321 0.648 . . . . 62.11 110.058 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.0 t -63.15 -24.56 67.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.312 -0.858 . . . . 65.43 112.517 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.04 -37.46 74.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.18 0.592 . . . . 64.3 110.874 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.6 m-85 -96.1 -9.18 31.42 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.011 -0.366 . . . . 72.24 110.011 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.06 64.54 1.49 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.371 1.044 . . . . 71.34 109.753 -168.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' ' 59' ' ' TYR . 1.7 mp -61.92 108.84 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 107.496 -1.298 . . . . 74.54 107.496 168.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.499 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 18.4 pt20 -85.3 164.5 17.97 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.474 -0.784 . . . . 70.24 110.039 176.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.544 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -68.47 144.62 54.59 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.696 -0.684 . . . . 74.33 111.301 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 56.26 25.78 9.69 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 125.013 1.445 . . . . 74.41 112.351 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 11.2 t -80.47 147.29 30.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.55 -0.75 . . . . 72.25 109.306 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.45 139.43 30.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.804 0.811 . . . . 65.12 111.024 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD23 HG11 ' B' ' 105' ' ' VAL . 50.6 tp -133.02 139.74 47.37 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.831 1.653 . . . . 74.52 106.869 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.623 HD13 ' SD ' ' C' ' 776' ' ' MET . 3.0 tt -118.73 135.17 60.01 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 N-CA-C 108.095 -1.076 . . . . 75.02 108.095 170.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD12 HG21 ' B' ' 107' ' ' THR . 52.8 mt -107.23 103.38 12.75 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.869 -1.059 . . . . 73.2 108.234 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.628 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.4 mp -96.91 117.94 32.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.172 -1.047 . . . . 71.21 108.172 -173.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.516 ' HG ' HG11 ' B' ' 108' ' ' VAL . 71.4 mt -69.35 171.97 7.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.442 0.297 . . . . 65.44 110.436 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -40.98 109.81 0.13 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.64 1.176 . . . . 71.05 112.692 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.585 ' HA ' HG22 ' C' ' 763' ' ' THR . 3.4 pp -67.02 -44.11 81.13 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.656 -0.498 . . . . 70.24 109.656 168.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.432 ' N ' HD13 ' A' ' 73' ' ' LEU . 75.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.018 1.727 . . . . 74.41 107.816 167.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.924 -0.47 . . . . 71.11 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.48 ' HE3' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -139.0 150.95 46.43 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.144 0.577 . . . . 73.41 110.235 -178.148 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.98 160.52 17.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.629 -0.714 . . . . 74.4 109.122 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.9 pt -145.14 151.16 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.585 0.754 . . . . 73.4 109.894 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.477 ' HB3' HG22 ' A' ' 12' ' ' THR . 18.3 m-85 -108.73 115.04 29.33 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 108.417 -0.957 . . . . 74.31 108.417 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.462 HG11 HD23 ' A' ' 67' ' ' LEU . 24.6 m -113.37 123.57 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 120.823 0.344 . . . . 65.43 110.868 -168.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.23 99.03 12.13 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.648 -1.241 . . . . 73.52 107.648 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.652 ' HB ' HE22 ' B' ' 109' ' ' GLN . 82.8 p -93.24 134.35 35.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.539 1.535 . . . . 73.33 110.39 -172.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.516 HG11 ' HG ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -118.18 117.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.511 1.124 . . . . 71.41 109.78 175.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.652 HE22 ' HB ' ' B' ' 107' ' ' THR . 27.5 mp0 -131.85 86.42 2.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.511 0.724 . . . . 73.44 109.647 172.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -88.25 134.99 33.66 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.736 -0.838 . . . . 74.31 108.736 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -147.84 133.95 19.33 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.248 1.419 . . . . 75.11 108.558 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 26.9 m -93.84 117.66 30.39 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.129 -0.693 . . . . 71.13 109.129 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 31.0 mt -92.39 154.36 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 107.57 -1.27 . . . . 75.14 107.57 172.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 89.5 m -137.93 125.39 21.99 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.584 -1.265 . . . . 75.54 107.584 174.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -138.02 170.33 16.24 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.427 -0.953 . . . . 74.34 108.427 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 30.5 tt0 -118.64 143.1 47.05 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.808 -0.812 . . . . 64.44 108.808 171.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.508 HG11 ' HE3' ' A' ' 1' ' ' MET . 10.7 p -144.24 165.75 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 123.159 0.584 . . . . 75.54 109.876 -174.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 11.0 mm-40 -107.87 141.92 24.14 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 124.173 0.989 . . . . 75.02 110.548 -175.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.1 -40.01 54.81 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.462 2.775 . . . . 75.22 112.456 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 60.7 m -84.58 -4.47 59.0 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.359 -0.837 . . . . 71.31 111.361 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.444 ' HB3' ' ND2' ' B' ' 125' ' ' ASN . 0.6 OUTLIER -92.26 167.26 12.14 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.133 0.573 . . . . 74.51 109.897 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.5 p -97.17 160.67 14.2 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.46 1.104 . . . . 55.3 111.92 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.448 HD12 HD21 ' B' ' 156' ' ' LEU . 24.7 mm -65.97 -22.06 29.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.854 -1.521 . . . . 75.12 110.847 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.29 -21.06 59.11 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.245 1.018 . . . . 71.45 112.232 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' B' ' 121' ' ' ASP . 76.7 m-20 -64.29 -53.5 48.01 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 123.675 0.79 . . . . 72.3 109.512 171.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.64 -40.92 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.9 0.88 . . . . 72.25 109.95 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.56 -56.09 22.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 114.99 -1.005 . . . . 74.25 110.614 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.99 72.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.14 -0.936 . . . . 64.45 111.142 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.512 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.5 mmpt? -67.97 -54.4 18.85 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.55 0.531 . . . . 74.5 110.512 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.1 pt -67.37 -26.51 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 118.315 0.507 . . . . 74.23 111.131 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 9.8 tt0 -77.15 -26.65 53.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.853 0.861 . . . . 63.42 111.125 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -80.0 -46.35 16.77 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.371 0.605 . . . . 71.54 110.288 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 129' ' ' LYS . 63.6 mttm -73.57 -67.0 0.63 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.745 -1.116 . . . . 72.11 110.299 -174.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.51 -4.67 28.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.038 0.535 . . . . 74.53 111.191 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 68.76 37.1 83.85 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.024 -0.32 . . . . 73.01 113.307 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.93 105.19 7.43 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.051 0.94 . . . . 70.43 109.443 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.89 148.23 76.13 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.097 1.865 . . . . 72.15 111.674 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -44.98 -39.49 14.45 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 124.974 3.783 . . . . 72.53 114.684 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.91 -43.11 89.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.649 -1.16 . . . . 74.52 111.221 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.81 -9.41 58.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.706 0.802 . . . . 74.24 111.492 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -77.49 131.69 38.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.379 1.072 . . . . 74.53 109.932 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 11.5 ttt85 -140.44 78.42 1.65 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.611 -0.885 . . . . 74.5 108.611 166.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 107.14 5.78 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.489 -0.56 . . . . 74.4 109.489 168.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.45 133.17 44.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.416 1.086 . . . . 70.24 108.572 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.456 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 35.5 t80 -132.43 108.19 8.99 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.628 1.171 . . . . 74.14 107.924 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.01 21.97 11.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.754 0.821 . . . . 71.33 112.301 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.73 53.53 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 119.584 -0.565 . . . . 75.13 114.052 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 21.0 ptmt -135.44 127.89 30.48 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 117.595 0.697 . . . . 73.04 109.697 176.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.85 154.02 41.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.589 -0.523 . . . . 73.22 109.589 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.52 HD23 HD21 ' B' ' 167' ' ' LEU . 0.8 OUTLIER -98.58 120.67 39.4 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.451 -0.944 . . . . 75.43 108.451 175.146 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 3.4 mp0 -67.25 130.64 43.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 108.045 -1.095 . . . . 74.41 108.045 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.55 -33.97 73.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.387 0.675 . . . . 74.15 111.486 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.02 0.63 82.66 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.829 -0.623 . . . . 72.21 113.637 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 1.3 tpm_? -95.31 168.53 10.67 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.556 0.743 . . . . 73.41 109.973 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.9 m -97.77 155.12 17.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.227 0.611 . . . . 73.53 109.931 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.448 HD21 HD12 ' B' ' 123' ' ' ILE . 3.9 mm? -66.06 -46.42 77.84 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.39 0.676 . . . . 73.5 110.605 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 -25.33 67.86 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.823 -0.626 . . . . 72.52 112.054 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.19 -33.16 65.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.017 0.927 . . . . 72.24 110.557 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.409 ' HB2' HG12 ' B' ' 161' ' ' ILE . 88.4 m-85 -97.57 -9.25 27.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.492 0.717 . . . . 73.33 111.91 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 61.1 t30 60.94 49.99 5.48 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.932 0.872 . . . . 64.24 109.836 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.409 HG12 ' HB2' ' B' ' 159' ' ' TYR . 4.1 mm -65.91 141.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-N 114.932 -1.031 . . . . 74.32 110.065 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.88 164.74 20.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.22 0.533 . . . . 74.42 111.174 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 141.34 51.81 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 115.455 -0.793 . . . . 74.25 109.59 174.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 61.52 11.02 3.55 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.676 1.99 . . . . 73.35 113.863 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.2 p -60.87 130.55 47.01 Favored 'General case' 0 C--N 1.369 1.426 0 CA-C-N 119.138 0.881 . . . . 51.51 110.282 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.02 128.05 45.08 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.362 0.665 . . . . 63.12 110.682 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.52 HD21 HD23 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -127.97 130.78 48.94 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 106.606 -1.628 . . . . 74.34 106.606 -179.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.33 116.06 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.874 -0.787 . . . . 72.14 108.874 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.9 tp -87.3 105.67 17.4 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.576 -0.898 . . . . 73.35 108.576 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 154.62 17.93 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.255 -1.387 . . . . 64.52 107.255 173.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.744 HD21 ' HE3' ' A' ' 11' ' ' LYS . 39.3 tp -70.48 133.92 47.26 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 106.388 -1.708 . . . . 75.52 106.388 162.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 9.7 t -34.85 93.34 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 126.016 1.726 . . . . 71.33 114.403 -163.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 46.83 1.05 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.427 -1.26 . . . . 64.04 108.211 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . 0.435 ' HA ' HH11 ' B' ' 142' ' ' ARG . 40.4 mtt180 . . . . . 0 CA--C 1.552 1.046 0 CA-C-N 115.276 -0.875 . . . . 65.14 109.673 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 CA-C-O 120.051 -0.305 . . . . 74.52 112.404 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 15.9 m -76.3 -17.35 59.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.726 0.811 . . . . 73.22 111.587 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.97 -57.4 12.27 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 123.585 0.754 . . . . 72.15 110.461 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 21.8 t 74.01 -40.36 0.45 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.441 1.496 . . . . 74.34 112.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.71 142.64 58.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.852 1.261 . . . . 74.4 111.085 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 56.3 m -146.81 32.45 0.94 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.359 1.063 . . . . 71.53 108.821 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -66.47 113.9 6.06 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.133 -0.94 . . . . 73.53 113.578 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 7.1 mmt 64.99 -174.14 0.18 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.738 1.215 . . . . 62.21 111.748 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 59.93 27.94 17.37 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.259 1.024 . . . . 72.42 112.236 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 742' ' ' SER . . . . . 0.5 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 19.0 m -56.43 -24.77 47.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.281 1.432 . . . . 51.1 114.371 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -71.32 -47.66 55.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.954 0.502 . . . . 65.11 110.716 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -82.71 -19.25 38.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.996 -0.547 . . . . 72.45 110.796 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.5 ' HB3' ' HA ' ' C' ' 742' ' ' SER . 23.2 t70 -76.47 -44.03 37.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.447 0.699 . . . . 74.4 110.807 -176.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 3.6 pt20 -55.22 -51.78 65.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.605 0.566 . . . . 63.15 110.629 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' C' ' 746' ' ' GLN . 0.0 OUTLIER -69.98 -37.92 75.89 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 116.191 -0.458 . . . . 75.21 111.219 -178.311 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.24 -58.33 8.97 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 72.14 111.389 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -66.27 -43.97 84.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.621 -0.718 . . . . 72.01 111.05 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -47.37 81.56 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.833 0.708 . . . . 63.41 111.451 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.01 -39.02 87.0 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 118.325 0.511 . . . . 72.33 111.114 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -40.69 83.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.759 -0.83 . . . . 74.42 108.759 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.94 -40.7 96.41 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.862 1.265 . . . . 74.43 110.821 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -67.27 -36.93 82.59 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.621 -0.718 . . . . 75.14 109.74 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' C' ' 807' ' ' GLN . 30.1 t-105 -74.75 -29.69 61.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.088 -0.96 . . . . 72.22 110.548 176.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 96.9 m -62.19 -36.52 82.14 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.992 -0.744 . . . . 61.52 108.992 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.549 ' CE1' HG23 ' A' ' 44' ' ' ILE . 16.5 m-30 -62.6 -67.47 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 116.008 -0.542 . . . . 74.4 110.396 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.494 HD13 HD21 ' C' ' 777' ' ' LEU . 18.9 mt -62.54 -36.24 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 124.181 0.925 . . . . 73.24 111.675 -168.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.33 -54.72 11.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.417 -0.356 . . . . 72.21 110.296 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.515 ' HB3' HD21 ' A' ' 70' ' ' LEU . . . -67.01 -29.13 68.87 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.325 0.491 . . . . 64.41 112.325 -172.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.59 ' HG3' HD11 ' C' ' 762' ' ' LEU . 27.5 ptm -78.76 -56.16 4.62 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 118.741 -0.647 . . . . 65.4 110.017 174.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.693 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 9.1 mp -68.66 -18.14 64.22 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.41 0.892 . . . . 75.51 113.41 -172.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 763' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 73' ' ' LEU . 14.3 t -64.16 -25.35 68.04 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.609 0.64 . . . . 74.11 110.891 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -100.02 -44.01 6.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.087 0.955 . . . . 72.22 108.946 171.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.71 58.43 1.67 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.712 1.605 . . . . 74.4 111.062 -171.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.87 60.86 5.6 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.104 0.478 . . . . 74.12 111.04 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 41.0 p -179.25 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.63 1.172 . . . . 74.05 110.576 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.33 127.41 45.49 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.504 0.722 . . . . 73.32 110.374 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.5 m -63.15 141.7 58.67 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.629 0.772 . . . . 71.54 109.346 172.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 18.5 tp -46.01 -37.11 6.23 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 124.615 1.197 . . . . 72.12 112.23 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.61 -43.84 36.57 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.181 1.392 . . . . 73.24 112.876 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.605 HH11 ' HB3' ' C' ' 772' ' ' ARG . 3.3 mtp-105 -63.01 -62.8 1.47 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.662 -0.699 . . . . 71.3 111.016 -176.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' C' ' 777' ' ' LEU . 0.1 OUTLIER -71.05 -23.02 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 115.211 -0.904 . . . . 72.01 110.09 -174.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -62.38 -61.95 2.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.211 0.604 . . . . 72.12 109.637 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.53 -39.01 78.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.668 0.787 . . . . 74.24 111.228 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.623 ' SD ' HD13 ' A' ' 68' ' ' ILE . 47.5 ttm -65.86 -62.27 1.6 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.649 1.18 . . . . 75.43 111.625 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.72 ' HB3' HD23 ' C' ' 795' ' ' LEU . 4.8 tp -56.45 -43.02 79.11 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.694 0.798 . . . . 74.03 111.011 -178.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.459 ' O ' HG12 ' C' ' 781' ' ' VAL . 69.2 ttt180 -71.34 -32.37 68.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.967 -1.015 . . . . 74.13 111.08 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 47.7 ttp -56.29 -49.74 73.4 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.949 -0.759 . . . . 73.0 108.949 170.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -61.18 -39.43 90.12 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.753 0.658 . . . . 71.23 112.484 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.808 HG13 HG12 ' C' ' 790' ' ' ILE . 2.9 p -72.16 -30.48 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 111.948 0.351 . . . . 75.34 111.948 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.7 -21.82 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 112.147 0.425 . . . . 75.22 112.147 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.0 p -68.94 -24.56 64.29 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 111.899 0.333 . . . . 72.33 111.899 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.34 -178.52 15.57 Favored Glycine 0 C--O 1.24 0.5 0 N-CA-C 110.318 -1.113 . . . . 54.13 110.318 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.29 -43.96 37.17 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.453 2.102 . . . . 72.12 110.756 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 38.01 -86.11 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.637 1.975 . . . . 64.12 114.697 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 72.8 mt -133.23 21.72 4.06 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.56 1.144 . . . . 73.43 110.679 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.28 50.64 3.75 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.858 1.263 . . . . 71.35 111.318 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 42.19 99.01 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.605 1.962 . . . . 73.12 113.681 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.808 HG12 HG13 ' C' ' 781' ' ' VAL . 18.3 pt -76.71 174.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.33 0.652 . . . . 74.22 112.139 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . 0.546 ' HB3' HE21 ' C' ' 793' ' ' GLN . 37.9 t70 -121.97 178.48 4.87 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.776 0.83 . . . . 65.51 110.157 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.45 -53.13 2.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.778 1.631 . . . . 70.02 112.23 171.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . 0.546 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.7 pp0? -54.05 -35.91 62.52 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.804 0.842 . . . . 73.4 112.463 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' C' ' 790' ' ' ILE . 4.5 tp10 -85.75 -41.1 15.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.543 0.737 . . . . 73.34 110.736 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.72 HD23 ' HB3' ' C' ' 777' ' ' LEU . 0.2 OUTLIER -64.63 -55.17 21.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.303 1.041 . . . . 73.51 109.081 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -50.61 -56.62 10.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 113.997 -1.456 . . . . 73.14 109.294 170.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -48.24 -41.42 23.44 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 124.398 1.061 . . . . 73.31 114.077 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.42 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 45.5 t80 -66.05 -57.48 7.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.135 0.974 . . . . 72.22 111.171 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.82 -37.19 73.2 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.857 -1.065 . . . . 73.51 109.968 -170.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -70.53 -32.29 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.962 -0.563 . . . . 75.54 109.626 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -58.13 -48.09 81.29 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 109.668 -0.493 . . . . 75.32 109.668 170.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -54.64 -41.34 69.96 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 123.527 0.517 . . . . 73.32 111.614 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 64.7 t -59.31 -42.81 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 CA-C-O 120.754 0.311 . . . . 73.02 111.27 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -73.86 -23.37 59.6 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.754 0.422 . . . . 75.54 111.421 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.15 4.65 41.49 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.615 1.166 . . . . 71.11 110.967 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 64.02 13.67 7.89 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.216 1.406 . . . . 72.35 111.135 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . 0.497 ' HG2' ' CZ2' ' C' ' 755' ' ' TRP . 26.5 tt0 -102.2 9.04 40.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.754 1.222 . . . . 62.32 110.798 -173.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 0.0 OUTLIER -161.89 142.74 10.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.26 -1.755 . . . . 75.3 106.26 176.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 79.0 t -111.72 129.45 67.11 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 109.21 -0.663 . . . . 74.51 109.21 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -93.1 109.94 21.42 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.896 -1.15 . . . . 75.34 107.896 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.541 ' HB3' HG12 ' C' ' 814' ' ' VAL . 21.8 t -79.3 -157.17 0.12 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.008 -0.738 . . . . 60.33 109.008 172.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.84 76.33 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.022 0.529 . . . . 51.3 111.15 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.76 75.8 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.46 -0.791 . . . . 71.44 112.399 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.541 HG12 ' HB3' ' C' ' 811' ' ' SER . 5.0 p -145.38 140.89 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.734 -0.839 . . . . 72.25 108.734 178.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.31 147.32 23.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.763 0.316 . . . . 73.34 111.072 -175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -156.42 132.08 9.56 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.197 -0.91 . . . . 72.41 109.736 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.693 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 11.9 tp -78.92 132.18 64.81 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 119.347 -0.358 . . . . 73.43 110.489 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.19 118.04 4.84 Favored 'Trans proline' 0 CA--C 1.555 1.538 0 C-N-CA 121.999 1.8 . . . . 75.54 111.643 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -61.37 -39.3 90.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.135 0.574 . . . . 72.51 109.497 168.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -120.6 131.0 54.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.347 1.059 . . . . 75.51 109.426 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 42.2 t -123.51 122.77 39.06 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.876 -1.157 . . . . 73.21 107.876 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 123.255 0.622 . . . . 75.12 110.902 -174.456 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 111.788 -0.525 . . . . 54.43 111.788 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.3 159.05 28.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 72.42 109.421 -175.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.474 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 1.2 mp0 -91.12 157.09 17.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.082 0.468 . . . . 74.33 111.457 -171.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.503 HD11 HG11 ' B' ' 117' ' ' VAL . 31.1 mt -135.1 152.03 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 N-CA-C 108.521 -0.918 . . . . 70.41 108.521 164.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -104.77 131.22 52.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.761 0.824 . . . . 71.44 108.894 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.725 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 57.4 t -102.54 95.11 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.912 -0.773 . . . . 75.2 108.912 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.83 94.6 9.88 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 -172.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.624 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 4.5 t -92.7 108.85 20.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.031 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.516 HG23 HD13 ' C' ' 765' ' ' LEU . 9.7 p -102.18 123.04 55.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 121.946 0.879 . . . . 75.23 110.134 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -107.91 84.53 1.97 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.801 -1.09 . . . . 74.11 108.723 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.491 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 57.7 t-105 -90.15 104.33 16.92 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 106.006 -1.85 . . . . 63.32 106.006 168.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.32 139.96 18.87 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.509 0.505 . . . . 73.41 111.221 -168.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.6 m -83.03 125.15 31.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.776 . . . . 75.21 109.323 174.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' B' ' 105' ' ' VAL . 45.6 mm -92.89 160.74 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 107.807 -1.183 . . . . 72.11 107.807 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.3 m -132.43 121.68 23.79 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.092 -1.077 . . . . 72.13 108.092 170.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.5 pp -117.02 170.98 8.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.889 -0.782 . . . . 62.33 108.889 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -126.67 127.41 45.12 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.109 -1.071 . . . . 73.04 108.109 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' B' ' 101' ' ' MET . 11.3 p -144.85 173.71 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.804 0.842 . . . . 72.34 109.885 -173.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -116.45 146.77 38.19 Favored Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 123.518 0.727 . . . . 64.54 109.522 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 30.0 Cg_endo -62.15 -30.08 81.7 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.542 2.161 . . . . 65.1 113.182 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -78.66 -13.11 59.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.073 0.549 . . . . 72.34 112.045 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' HB3' HD21 ' A' ' 25' ' ' ASN . 95.8 m-20 -72.04 163.03 28.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 122.729 0.412 . . . . 61.32 110.188 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.84 159.24 18.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.354 0.597 . . . . 63.14 110.805 173.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.703 HG21 ' HB3' ' A' ' 50' ' ' LEU . 44.7 mm -69.53 -27.32 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.454 -1.248 . . . . 73.42 110.336 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.07 -27.16 69.2 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 122.918 0.487 . . . . 75.54 111.355 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.433 HD21 ' HB3' ' A' ' 21' ' ' ASP . 50.4 m-20 -68.3 -45.19 73.68 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.743 0.652 . . . . 74.54 110.337 174.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.45 HG23 HD12 ' A' ' 56' ' ' LEU . 85.3 t -61.14 -48.07 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.922 0.889 . . . . 65.24 109.945 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.57 -48.29 81.41 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.638 -1.619 . . . . 64.11 110.857 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.98 -33.21 70.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.467 -0.788 . . . . 74.55 111.652 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.555 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.4 ptpt -76.88 -38.2 54.06 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.133 0.424 . . . . 73.41 110.901 -177.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.57 ' HB ' HD13 ' A' ' 36' ' ' ILE . 32.8 pt -69.82 -33.68 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 121.007 0.432 . . . . 75.04 110.058 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -65.64 -41.08 93.0 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.467 -0.788 . . . . 74.35 111.457 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.69 -50.82 47.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.74 0.816 . . . . 74.42 110.85 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.25 -56.38 3.8 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.645 -1.161 . . . . 74.21 111.597 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -87.86 -17.13 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 122.677 0.391 . . . . 75.43 111.59 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.98 43.3 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 112.392 -0.283 . . . . 74.42 112.392 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.57 HD13 ' HB ' ' A' ' 30' ' ' ILE . 93.0 mt -79.12 114.57 45.65 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.526 1.13 . . . . 73.3 110.804 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HB2' ' HG3' ' A' ' 40' ' ' GLN . 5.7 Cg_exo -81.05 107.32 1.89 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.61 2.207 . . . . 72.15 110.047 172.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.18 -34.72 88.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.97 2.447 . . . . 75.15 114.321 -169.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.59 -47.02 77.15 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.26 -0.882 . . . . 72.11 111.827 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.498 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -89.25 -5.21 57.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.669 0.248 . . . . 74.34 111.669 -177.034 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.471 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 9.6 tt0 -131.55 90.06 2.8 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.17 -1.048 . . . . 72.24 108.17 175.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.76 125.82 29.92 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.863 -1.062 . . . . 72.4 111.066 -170.273 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.591 HD23 HD22 ' A' ' 67' ' ' LEU . 4.6 mp -87.18 138.85 31.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.871 0.868 . . . . 74.44 110.741 -174.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.72 121.6 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 108.372 -0.973 . . . . 74.44 108.372 172.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HB2' HD22 ' A' ' 50' ' ' LEU . 1.6 t80 -109.56 114.96 29.03 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.736 -1.209 . . . . 73.12 107.736 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.46 9.07 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.158 0.799 . . . . 71.13 113.158 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 91.58 22.49 31.24 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 116.436 -0.347 . . . . 75.52 113.571 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -136.87 136.0 38.33 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.107 0.563 . . . . 75.22 110.603 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.85 132.15 35.44 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.128 0.971 . . . . 74.41 110.346 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.0 mm? -87.85 104.94 17.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.866 0.867 . . . . 75.12 111.094 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -79.86 121.11 25.0 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.698 -0.852 . . . . 75.24 108.698 163.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.584 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p-10 -64.13 -23.42 67.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.573 0.749 . . . . 72.42 112.48 -173.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.31 0.18 81.1 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 124.145 0.903 . . . . 64.33 114.292 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.48 176.4 5.16 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 117.788 0.794 . . . . 73.45 109.223 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 p -101.6 164.59 11.67 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.962 -0.384 . . . . 72.52 109.962 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.8 mm? -60.47 -35.72 76.58 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 109.246 -0.65 . . . . 74.5 109.246 174.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -63.3 -34.18 77.12 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.892 1.277 . . . . 64.33 112.587 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.45 -29.93 64.62 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.538 0.685 . . . . 65.14 111.084 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.484 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.1 m-85 -102.1 -1.85 30.68 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.453 -0.794 . . . . 72.34 111.153 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t30 59.41 39.78 21.65 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.413 1.085 . . . . 75.33 110.213 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 HG13 ' HB2' ' A' ' 59' ' ' TYR . 99.5 mt -71.99 98.29 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.21 -0.905 . . . . 74.31 109.868 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.97 -179.07 4.56 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.398 1.079 . . . . 73.42 109.534 174.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HE3' ' NE2' ' B' ' 102' ' ' GLN . 20.0 ptmt -73.88 148.13 42.59 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.772 0.656 . . . . 65.22 112.772 -170.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 54.59 31.16 14.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.591 -1.641 . . . . 54.54 112.25 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -85.41 164.65 17.78 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.295 -0.866 . . . . 72.33 108.749 172.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.96 124.74 50.12 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.066 0.936 . . . . 74.22 112.29 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.591 HD22 HD23 ' A' ' 43' ' ' LEU . 55.7 tp -105.04 147.85 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.871 2.068 . . . . 74.45 107.586 171.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' C' ' 776' ' ' MET . 8.1 tt -126.46 144.59 36.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-O 121.561 0.696 . . . . 73.55 109.637 169.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -105.92 117.19 33.39 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.653 1.181 . . . . 73.54 108.734 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -96.25 115.66 27.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.698 -1.223 . . . . 74.01 107.698 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.552 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 10.3 tt -72.53 156.53 38.92 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.234 -0.654 . . . . 73.15 109.234 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -33.67 102.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.535 1.534 . . . . 75.23 112.95 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.515 HD22 ' HG3' ' A' ' 74' ' ' ARG . 6.1 tt -63.78 -56.73 13.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.389 -1.278 . . . . 70.4 109.371 -174.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.515 ' HG3' HD22 ' A' ' 73' ' ' LEU . 18.5 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-N 114.792 -1.094 . . . . 74.34 109.449 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.18 -0.768 . . . . 74.45 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -131.2 149.85 52.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.324 1.449 . . . . 74.23 109.553 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.423 ' H ' HE21 ' B' ' 102' ' ' GLN . 0.0 OUTLIER -109.56 124.3 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.948 -1.13 . . . . 74.22 107.948 -177.247 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.407 HD12 ' HE2' ' A' ' 45' ' ' PHE . 25.3 pt -118.61 157.21 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.849 0.46 . . . . 74.51 110.54 -169.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.42 131.28 45.54 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 108.691 -0.855 . . . . 74.1 108.691 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.498 HG21 HD23 ' A' ' 15' ' ' LEU . 76.6 t -124.77 98.73 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.142 -1.058 . . . . 72.12 108.142 -173.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.42 121.85 27.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.064 -0.717 . . . . 74.42 109.064 -169.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.688 HG22 HD22 ' A' ' 69' ' ' LEU . 66.4 p -123.77 141.45 52.01 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 123.869 0.868 . . . . 75.44 110.934 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.491 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 5.9 p -121.29 121.85 65.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 123.687 0.795 . . . . 72.15 109.498 170.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -128.89 88.41 2.72 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.425 -0.583 . . . . 73.31 109.425 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -83.84 128.66 34.7 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.137 -1.431 . . . . 71.13 107.137 168.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -136.46 112.76 9.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.073 0.949 . . . . 75.11 108.8 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -79.98 112.14 17.0 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.195 -0.668 . . . . 74.12 109.195 173.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.725 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 21.6 mt -94.11 169.24 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 107.344 -1.354 . . . . 71.21 107.344 172.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 44.4 m -143.44 133.07 23.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.369 -0.604 . . . . 72.55 109.369 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -137.12 168.24 19.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.175 0.99 . . . . 74.43 109.345 173.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 25.2 mt-10 -117.15 140.22 49.78 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.245 0.618 . . . . 73.44 109.705 168.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 3' ' ' ILE . 1.9 p -136.02 176.72 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 C-N-CA 124.88 1.272 . . . . 74.3 108.606 -172.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.54 154.89 79.52 Favored Pre-proline 0 N--CA 1.485 1.307 0 N-CA-C 108.821 -0.807 . . . . 63.32 108.821 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.59 -21.95 33.54 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.242 1.295 . . . . 74.2 112.335 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.9 m -84.36 -16.24 43.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 74.22 112.875 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.436 ' OD2' HG22 ' B' ' 117' ' ' VAL . 0.8 OUTLIER -89.74 174.64 7.61 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 119.219 0.918 . . . . 71.41 110.923 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.4 p -104.05 155.05 18.99 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.162 0.985 . . . . 74.32 112.173 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 32.0 mm -57.81 -30.26 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.974 -1.467 . . . . 73.12 111.163 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.01 -35.7 67.13 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.714 0.806 . . . . 73.01 111.041 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -66.16 -46.34 77.77 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.098 0.874 . . . . 64.54 110.029 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.65 -51.21 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.719 0.808 . . . . 71.24 110.161 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.597 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -69.15 -32.89 72.55 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.521 -0.763 . . . . 75.12 111.32 -177.043 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.99 66.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.508 0.323 . . . . 75.24 111.784 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.6 mmpt? -75.04 -41.28 59.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.419 0.287 . . . . 72.21 111.337 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.501 ' HB ' HD13 ' B' ' 136' ' ' ILE . 24.8 pt -70.47 -30.01 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 109.862 -0.421 . . . . 73.12 109.862 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.493 HE21 ' HA ' ' B' ' 137' ' ' PRO . 34.6 tt0 -68.38 -37.71 80.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.103 0.561 . . . . 71.43 111.325 171.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.33 -53.29 20.33 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.129 0.571 . . . . 71.14 110.811 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -77.33 -51.86 10.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.501 -0.772 . . . . 74.53 110.796 -172.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -103.18 -10.2 18.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.828 -0.624 . . . . 75.15 112.016 -166.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.26 30.27 63.02 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 120.068 -0.296 . . . . 75.25 112.785 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . 0.501 HD13 ' HB ' ' B' ' 130' ' ' ILE . 93.7 mt -85.61 107.37 12.22 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 124.582 1.153 . . . . 75.13 110.791 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.493 ' HA ' HE21 ' B' ' 131' ' ' GLN . 4.3 Cg_exo -81.18 118.7 3.36 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.178 1.919 . . . . 61.21 109.406 172.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.597 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 9.9 Cg_endo -48.44 -35.18 27.7 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 123.766 2.977 . . . . 71.02 113.832 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.19 -46.21 81.68 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 115.297 -0.865 . . . . 75.11 112.015 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.51 ' NE2' ' HG3' ' B' ' 141' ' ' GLN . 0.0 OUTLIER -84.7 -39.29 18.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.411 0.684 . . . . 74.33 111.56 -172.34 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.51 ' HG3' ' NE2' ' B' ' 140' ' ' GLN . 44.7 mt-30 -105.05 105.89 16.13 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.593 -1.262 . . . . 75.22 107.593 168.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 115.86 16.5 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 124.961 1.304 . . . . 74.33 109.642 -173.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.02 100.92 11.99 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.4 -0.593 . . . . 74.23 109.4 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.33 125.49 51.04 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.514 -0.921 . . . . 72.0 108.514 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -109.07 103.15 12.1 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.907 -0.775 . . . . 64.14 108.907 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.7 29.64 16.15 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.304 1.042 . . . . 73.42 113.087 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.89 46.18 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 116.56 -0.291 . . . . 75.23 113.437 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -141.55 114.89 8.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.854 0.862 . . . . 72.21 109.347 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -65.25 156.25 32.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.08 0.552 . . . . 74.45 111.253 176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.497 HD11 HD22 ' B' ' 167' ' ' LEU . 61.1 mt -99.85 141.83 32.14 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.521 0.729 . . . . 65.1 110.881 -176.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.656 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 43.6 mt-10 -87.42 127.83 35.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.684 -1.228 . . . . 72.04 107.684 163.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.15 -32.63 72.35 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.048 0.539 . . . . 72.31 110.985 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.6 5.43 78.22 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.384 -0.676 . . . . 71.42 114.109 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.656 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 8.1 tpt180 -91.58 173.65 7.77 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.084 0.942 . . . . 74.52 109.563 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.0 m -106.18 154.92 20.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.599 0.759 . . . . 75.21 109.15 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.403 ' CD1' HG13 ' B' ' 161' ' ' ILE . 4.5 mm? -62.34 -43.01 99.81 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.201 0.6 . . . . 72.21 110.867 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.3 t -63.19 -24.77 68.03 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.136 0.791 . . . . 74.24 113.136 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -54.07 -42.04 68.84 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.458 0.647 . . . . 74.53 110.56 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -90.53 -5.48 55.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.895 -1.048 . . . . 72.14 110.252 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 56.33 50.58 12.98 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 124.57 1.148 . . . . 71.44 109.972 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.403 HG13 ' CD1' ' B' ' 156' ' ' LEU . 14.0 mm -61.26 114.47 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 114.061 -1.427 . . . . 74.44 110.132 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . 0.407 ' HG3' ' HG ' ' B' ' 165' ' ' SER . 10.0 pt20 -96.3 164.3 12.71 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-O 121.192 0.52 . . . . 70.44 109.763 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -60.44 128.67 37.84 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.51 -0.768 . . . . 71.04 109.567 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 73.68 25.66 1.99 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.559 1.144 . . . . 74.21 110.554 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' B' ' 145' ' ' PHE . 74.5 m -64.83 158.88 23.85 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 109.0 -0.741 . . . . 72.53 109.0 161.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -140.02 135.46 32.69 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.092 0.405 . . . . 72.11 111.52 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.497 HD22 HD11 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -113.08 136.59 52.53 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.915 0.886 . . . . 70.43 109.589 172.434 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.5 pt -96.52 124.08 49.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.071 0.938 . . . . 74.43 109.119 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 9.6 mp -81.93 103.26 11.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.549 -1.205 . . . . 75.3 109.282 171.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.56 161.47 14.35 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.586 -1.265 . . . . 71.34 107.586 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.09 150.53 47.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.796 0.725 . . . . 72.44 110.471 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.3 t -37.5 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.239 1.816 . . . . 73.01 114.345 -173.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 29.9 tp -145.29 -88.25 0.11 Allowed 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.115 -0.493 . . . . 75.41 112.085 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.693 -0.67 . . . . 75.44 111.537 -171.112 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.007 -0.437 . . . . 74.41 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 75.2 p -144.31 24.73 1.58 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.486 0.714 . . . . 71.24 110.334 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.33 75.43 1.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.816 1.293 . . . . 72.34 110.018 178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 38.4 t -169.81 35.77 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 113.771 -1.559 . . . . 75.25 107.547 -170.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.74 121.81 16.26 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.617 -1.174 . . . . 64.14 111.821 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 13.5 p -79.41 134.27 36.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.925 0.89 . . . . 65.12 110.877 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -176.63 -154.2 11.55 Favored Glycine 0 C--N 1.344 0.995 0 N-CA-C 111.253 -0.739 . . . . 61.33 111.253 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 740' ' ' MET . . . . . 0.54 ' HA ' ' HE2' ' C' ' 740' ' ' MET . 13.7 mmt -87.46 62.06 6.93 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.112 0.958 . . . . 71.14 110.964 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -150.47 17.46 0.82 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 113.969 -1.468 . . . . 75.2 108.74 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 6.9 m -58.07 -28.94 65.01 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.511 1.525 . . . . 74.35 113.574 -165.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -63.9 -47.03 82.21 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.271 0.628 . . . . 72.15 111.907 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -88.83 -23.76 22.74 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.909 0.883 . . . . 74.0 110.801 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 25.6 t0 -78.47 -47.01 18.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.877 0.871 . . . . 63.14 111.163 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -47.07 -48.82 22.45 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.283 1.033 . . . . 71.31 111.829 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . 0.684 ' HA ' HD21 ' C' ' 787' ' ' LEU . 17.7 ptmt -76.17 -42.66 45.8 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.747 -1.115 . . . . 72.42 110.618 -171.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.41 -54.67 44.04 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.1 0.875 . . . . 55.51 111.501 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.2 pt-20 -67.2 -30.89 70.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.726 0.641 . . . . 73.43 110.855 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . 0.473 ' HG2' ' HG ' ' C' ' 787' ' ' LEU . 6.3 tp10 -65.39 -43.86 89.34 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 123.415 0.447 . . . . 73.41 110.103 174.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.68 -32.82 74.59 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.799 0.839 . . . . 73.1 110.801 176.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.4 -36.26 73.95 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.822 -0.807 . . . . 74.01 108.822 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -45.14 84.78 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.299 0.64 . . . . 72.42 110.404 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.571 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 33.0 m-85 -58.97 -42.79 90.76 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 123.508 0.505 . . . . 71.32 110.227 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -70.1 -26.66 64.08 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.063 -0.971 . . . . 74.14 111.24 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 80.8 m -67.5 -35.76 79.76 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.09 -0.707 . . . . 74.31 109.09 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.571 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 44.5 m-85 -63.5 -60.53 3.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 71.42 110.508 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.523 HG13 ' O ' ' C' ' 754' ' ' PHE . 15.0 mt -64.42 -34.56 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 124.135 0.897 . . . . 75.24 111.796 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -75.46 -46.51 32.11 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.668 -0.493 . . . . 73.1 109.668 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.4 62.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.311 0.644 . . . . 71.4 111.883 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.723 ' HE2' HD22 ' C' ' 768' ' ' LEU . 23.7 ttt -73.31 -59.71 2.58 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.823 -1.177 . . . . 72.22 107.823 172.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.848 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 27.8 mt -71.9 -17.96 62.07 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.703 1.201 . . . . 75.24 113.13 -172.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 763' ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' ' 73' ' ' LEU . 6.1 t -69.93 -16.31 63.19 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.279 0.632 . . . . 64.31 111.583 -177.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . 0.552 ' ND2' ' HB3' ' A' ' 71' ' ' LEU . 2.4 p30 -127.2 -51.11 1.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.222 1.009 . . . . 74.44 109.204 173.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 8' ' ' VAL . 13.4 tp -82.59 64.75 7.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.442 1.497 . . . . 75.03 108.596 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -84.32 53.08 2.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.98 -1.009 . . . . 71.54 111.011 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 27.8 p 178.74 110.12 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.747 1.219 . . . . 74.43 109.854 176.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . 0.723 HD22 ' HE2' ' C' ' 761' ' ' MET . 1.8 pp -163.8 156.6 18.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.655 0.382 . . . . 71.55 111.369 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.7 t -78.99 155.71 28.77 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 123.283 0.633 . . . . 74.53 109.724 169.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.417 HD13 ' O ' ' C' ' 770' ' ' LEU . 7.6 tp -63.25 -27.4 69.32 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.617 -0.719 . . . . 73.41 110.39 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.53 -43.46 62.31 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 118.224 0.466 . . . . 73.12 111.795 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -64.37 -61.33 2.3 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.808 0.843 . . . . 74.14 111.633 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -35.89 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 115.385 -0.825 . . . . 73.03 111.35 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.558 ' HH ' HD21 ' C' ' 792' ' ' LEU . 58.1 t80 -65.15 -51.63 60.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.474 0.71 . . . . 75.25 109.768 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -50.79 -46.9 59.85 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 124.205 0.941 . . . . 65.13 111.796 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.506 ' SD ' HD12 ' A' ' 68' ' ' ILE . 30.5 mtm -65.71 -52.01 54.74 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.525 0.516 . . . . 72.24 111.279 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' C' ' 790' ' ' ILE . 6.4 mp -54.4 -36.51 64.02 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.018 0.437 . . . . 71.44 111.45 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' C' ' 781' ' ' VAL . 20.9 mmm180 -67.54 -49.9 61.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.137 -0.938 . . . . 73.4 111.468 177.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 779' ' ' MET . . . . . 0.464 ' HG2' ' HA ' ' C' ' 776' ' ' MET . 11.6 ptm -58.72 -41.28 86.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 118.178 0.445 . . . . 74.12 110.203 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -71.97 -29.77 64.58 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.385 0.513 . . . . 75.14 112.385 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' C' ' 778' ' ' ARG . 4.2 p -81.01 -26.19 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 117.947 0.34 . . . . 74.14 111.835 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' C' ' 789' ' ' GLU . 21.6 m -92.9 -23.35 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 112.883 0.697 . . . . 65.45 112.883 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 4.7 p -65.22 -18.06 65.0 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.104 0.478 . . . . 74.03 111.541 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -136.5 178.28 18.95 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 109.999 -1.241 . . . . 70.44 109.999 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -58.64 -38.82 87.47 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.928 1.752 . . . . 65.15 111.081 167.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 42.19 -81.17 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.514 1.926 . . . . 72.42 114.412 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . 0.684 HD21 ' HA ' ' C' ' 747' ' ' LYS . 86.3 mt -140.18 29.95 2.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.291 1.037 . . . . 74.51 111.381 -176.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.29 33.13 20.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.283 1.033 . . . . 44.15 111.587 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . 0.501 ' HG2' HG11 ' C' ' 782' ' ' VAL . 73.5 mt-10 69.76 118.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.651 1.581 . . . . 72.4 111.575 -171.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' C' ' 777' ' ' LEU . 11.6 pt -72.34 154.71 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.626 0.77 . . . . 71.34 110.563 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -105.54 168.54 9.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.907 -1.042 . . . . 71.5 109.736 -168.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . 0.558 HD21 ' HH ' ' C' ' 774' ' ' TYR . 4.4 mm? -68.43 -36.83 79.63 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.409 0.684 . . . . 63.01 111.709 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -76.83 -22.08 54.12 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.561 0.619 . . . . 73.4 110.887 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.36 -46.09 61.29 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.136 0.493 . . . . 73.04 109.769 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.461 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -63.2 -57.66 9.77 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.774 1.23 . . . . 75.01 109.405 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -57.72 -45.62 85.51 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 113.632 -1.622 . . . . 74.5 110.516 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.47 -39.47 96.36 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 124.096 0.873 . . . . 43.04 112.972 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.19 -53.32 56.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.939 0.896 . . . . 75.35 109.932 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 66.1 mt -66.23 -40.82 90.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.122 -1.399 . . . . 74.12 111.995 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -44.07 94.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.495 1.118 . . . . 74.3 109.52 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -55.56 33.56 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.326 1.016 . . . . 75.13 109.855 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.4 mmtt -52.27 -44.73 65.1 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 123.988 0.805 . . . . 72.34 112.971 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 75.9 t -64.88 -46.34 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.868 0.467 . . . . 75.22 110.919 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -80.07 -6.34 57.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.321 0.648 . . . . 64.0 111.958 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.72 -8.14 56.44 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.328 1.051 . . . . 70.31 110.749 172.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 70.0 13.49 7.87 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.811 1.644 . . . . 72.44 111.352 -173.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -79.36 -42.93 24.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.516 1.126 . . . . 70.24 109.353 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.7 OUTLIER -122.34 148.2 45.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.26 1.024 . . . . 72.15 108.565 -172.273 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 52.6 t -106.9 124.25 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.438 0.695 . . . . 74.34 109.422 171.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -97.21 114.15 25.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 106.909 -1.515 . . . . 70.13 106.909 167.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 44.4 m -90.35 -142.39 0.16 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 108.35 -0.981 . . . . 72.2 108.35 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.88 72.75 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.667 0.667 . . . . 70.12 110.731 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.82 76.74 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.599 -0.728 . . . . 65.34 113.884 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.41 157.09 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.096 0.558 . . . . 64.11 110.123 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -108.37 144.64 35.66 Favored 'General case' 0 C--O 1.25 1.082 0 C-N-CA 123.169 0.588 . . . . 72.33 110.758 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -156.18 139.04 15.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.556 -1.202 . . . . 74.34 109.426 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.848 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 3.1 tp -85.27 122.03 73.8 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.297 -0.631 . . . . 73.33 109.297 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . 0.663 ' HG2' ' HB3' ' C' ' 821' ' ' CYS . 52.0 Cg_endo -68.84 124.93 11.99 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.989 1.793 . . . . 62.14 110.108 170.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -82.5 7.39 14.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.211 0.604 . . . . 74.52 110.677 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -118.0 17.09 14.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.751 1.62 . . . . 65.11 109.963 173.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . 0.663 ' HB3' ' HG2' ' C' ' 818' ' ' PRO . 22.8 p -62.67 -37.64 87.21 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.47 0.708 . . . . 64.3 111.561 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.255 1.379 0 N-CA-C 108.338 -0.986 . . . . 73.03 108.338 -179.345 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 110.767 -0.933 . . . . 64.2 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HE2' HG12 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -112.63 145.84 39.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.024 0.929 . . . . 63.42 109.328 -176.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -109.0 125.82 52.46 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.696 -0.483 . . . . 72.3 109.696 -172.309 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 156.98 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 74.31 110.899 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.7 m-85 -106.92 118.98 38.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.897 0.879 . . . . 71.11 108.972 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.8 t -110.15 98.94 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 108.757 -0.831 . . . . 73.2 108.757 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.05 99.01 4.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.784 0.833 . . . . 71.35 109.588 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' B' ' 169' ' ' LEU . 7.8 t -89.38 132.92 34.74 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 109.016 -0.735 . . . . 63.43 109.016 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.36 146.51 10.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.886 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' B' ' 109' ' ' GLN . 74.2 mt-30 -135.35 83.59 2.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.289 -1.374 . . . . 75.33 107.289 168.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.436 ' HD1' ' HE ' ' C' ' 772' ' ' ARG . 9.7 t-105 -105.07 104.03 13.68 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 106.553 -1.647 . . . . 74.52 106.553 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -157.8 144.4 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.708 -0.678 . . . . 74.24 111.558 -163.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' HB3' ' B' ' 104' ' ' PHE . 1.8 m -88.86 122.67 32.48 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.808 -0.812 . . . . 71.44 108.808 174.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.26 133.02 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.236 . . . . 73.32 108.611 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -99.22 112.79 24.87 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.603 -0.517 . . . . 74.33 109.603 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.7 HD21 HG11 ' B' ' 105' ' ' VAL . 1.4 pt? -132.46 170.91 14.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.101 0.96 . . . . 73.03 109.356 -178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.26 149.34 26.98 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.408 0.623 . . . . 75.14 110.152 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG13 ' HE2' ' B' ' 101' ' ' MET . 8.7 p -142.97 155.23 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.134 -1.394 . . . . 62.43 109.26 169.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.94 135.13 20.5 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.98 0.912 . . . . 65.42 109.672 -170.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.03 -38.41 94.79 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.845 3.03 . . . . 73.11 114.481 -175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 m -82.37 -6.81 59.51 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.033 -0.53 . . . . 62.31 111.456 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB3' HD21 ' A' ' 25' ' ' ASN . 2.6 m-20 -81.36 151.93 27.74 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 122.705 0.402 . . . . 72.33 110.447 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -79.04 166.31 22.45 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.79 0.681 . . . . 64.03 111.389 173.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.739 HG21 ' HB3' ' A' ' 50' ' ' LEU . 39.5 mm -74.38 -28.62 22.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.773 -1.103 . . . . 75.11 110.106 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.98 -28.47 51.94 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.969 0.907 . . . . 74.21 111.536 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.461 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 87.1 m-20 -65.51 -50.52 64.95 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 124.124 0.97 . . . . 73.35 110.535 174.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.6 -41.87 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.604 0.762 . . . . 75.42 110.233 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HG3' ' NE2' ' A' ' 41' ' ' GLN . 32.5 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.819 1.248 . . . . 73.11 110.54 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.84 -26.42 64.21 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 114.621 -1.172 . . . . 54.42 111.302 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -74.91 -42.6 57.47 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 122.842 0.457 . . . . 73.11 110.755 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.505 ' HB ' HD13 ' A' ' 36' ' ' ILE . 32.9 pt -69.31 -34.52 63.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 109.987 -0.375 . . . . 64.03 109.987 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.63 -39.54 80.74 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.596 0.236 . . . . 75.41 111.159 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.52 -50.52 58.37 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.578 0.751 . . . . 51.01 111.223 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -80.5 -57.43 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.289 -0.869 . . . . 73.21 110.298 -175.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.73 -24.14 20.48 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.165 0.586 . . . . 74.42 112.008 -168.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.14 36.09 36.35 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 112.198 -0.361 . . . . 73.53 112.198 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.505 HD13 ' HB ' ' A' ' 30' ' ' ILE . 90.3 mt -82.74 117.39 68.38 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.909 0.884 . . . . 74.33 109.127 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HG2' ' HB2' ' A' ' 40' ' ' GLN . 26.8 Cg_endo -61.59 114.29 2.19 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.899 2.399 . . . . 74.41 111.579 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 10.1 Cg_endo -51.08 -40.48 59.47 Favored 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 124.123 3.216 . . . . 75.32 112.952 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.92 -38.71 86.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.361 -1.29 . . . . 73.03 112.223 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.453 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 20.1 mt-30 -97.51 4.97 50.25 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.452 0.701 . . . . 70.21 112.044 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' NE2' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -92.11 135.14 34.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.412 1.085 . . . . 75.22 110.669 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.8 76.89 1.75 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.365 1.066 . . . . 72.4 109.19 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD11 HD11 ' A' ' 30' ' ' ILE . 39.9 mt -71.91 135.38 46.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.939 0.496 . . . . 74.42 109.943 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -132.48 121.4 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 108.407 -0.96 . . . . 73.35 108.407 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.0 t80 -109.71 116.22 31.3 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.286 1.034 . . . . 71.05 108.808 -173.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 20.56 6.19 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.922 0.889 . . . . 73.24 112.925 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.27 27.11 26.36 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.403 -0.362 . . . . 55.24 113.518 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -135.13 134.24 40.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.978 0.911 . . . . 74.44 110.06 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -81.45 133.2 35.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.345 0.658 . . . . 74.54 110.165 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.739 ' HB3' HG21 ' A' ' 23' ' ' ILE . 3.4 mm? -78.12 105.93 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.301 1.04 . . . . 74.41 111.455 -173.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.585 ' HB2' ' HH ' ' A' ' 59' ' ' TYR . 50.1 mm-40 -78.58 124.61 28.35 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.874 0.87 . . . . 75.22 109.842 170.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.93 -44.1 78.03 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.316 -1.311 . . . . 75.24 112.804 -169.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.04 14.02 61.7 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 115.126 -0.943 . . . . 63.34 114.359 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.69 170.03 9.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.641 0.72 . . . . 64.44 109.118 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.8 p -101.55 168.72 9.31 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 121.041 0.448 . . . . 74.23 110.187 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.44 -41.78 88.66 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 115.174 -0.921 . . . . 71.3 108.754 174.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -69.12 -29.96 68.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.504 0.322 . . . . 70.05 110.963 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.0 -31.08 68.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.545 0.738 . . . . 73.44 110.191 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' HH ' ' HB2' ' A' ' 51' ' ' GLU . 3.1 m-85 -95.71 -3.36 46.11 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 114.777 -1.101 . . . . 74.44 111.513 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t30 52.18 50.38 18.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.249 1.019 . . . . 75.45 109.325 -175.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.3 mm -64.77 98.61 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 114.121 -1.4 . . . . 75.23 108.059 174.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 19.0 pt20 -78.45 165.86 23.29 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.673 -0.694 . . . . 75.44 110.611 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.2 ttmt -68.51 135.42 51.57 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.377 -0.829 . . . . 73.3 109.889 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 37.9 mt-10 61.57 34.3 17.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.78 1.232 . . . . 75.34 111.937 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 8.1 t -85.4 167.26 15.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.298 -0.864 . . . . 75.53 109.411 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB1' ' HE3' ' C' ' 779' ' ' MET . . . -115.71 139.44 50.15 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.55 0.69 . . . . 74.42 111.365 -174.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.1 tp -123.63 145.04 49.23 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.988 1.715 . . . . 71.02 107.673 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.466 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 7.5 tt -122.7 135.75 61.75 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 109.338 -0.616 . . . . 74.33 109.338 170.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -95.66 114.08 25.79 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.261 0.625 . . . . 75.11 109.413 173.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 HD21 ' HB1' ' C' ' 760' ' ' ALA . 3.5 mp -97.18 153.07 18.22 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.02 -1.845 . . . . 73.31 106.02 166.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -108.41 173.72 6.2 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 109.241 -0.651 . . . . 72.02 109.241 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.98 109.14 0.29 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.761 0.663 . . . . 75.23 110.44 173.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.554 ' HA ' HG22 ' C' ' 763' ' ' THR . 2.5 pt? -62.9 -16.5 59.22 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 124.132 0.895 . . . . 71.31 112.244 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 108.797 -0.816 . . . . 74.34 108.797 172.46 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.009 -0.836 . . . . 65.45 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.508 ' HE2' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -95.63 152.01 18.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.135 -0.691 . . . . 74.4 109.135 175.363 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -83.77 153.58 24.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.316 -0.994 . . . . 63.33 108.316 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.9 pt -143.46 157.84 16.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 123.652 0.781 . . . . 74.21 109.81 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.407 ' HB3' HG23 ' A' ' 12' ' ' THR . 20.7 m-85 -116.7 107.66 14.95 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.73 -1.211 . . . . 71.34 107.73 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.7 HG11 HD21 ' A' ' 15' ' ' LEU . 16.0 m -101.06 123.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.058 0.456 . . . . 74.35 110.923 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 5.0 m-20 -83.28 97.99 9.18 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.735 -1.209 . . . . 74.3 107.735 175.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 t -93.88 140.42 29.71 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 115.475 -0.784 . . . . 65.52 110.37 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.94 117.16 54.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-N 114.276 -1.329 . . . . 73.22 107.664 171.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.673 ' HB3' ' HB2' ' A' ' 9' ' ' GLN . 6.7 tp-100 -138.46 102.66 4.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.542 0.737 . . . . 74.44 109.531 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -107.61 132.83 52.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.563 0.745 . . . . 62.42 109.116 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -130.35 116.4 18.24 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.597 0.759 . . . . 75.22 110.349 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 m -81.32 111.32 17.59 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.135 -0.691 . . . . 75.42 109.135 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 48.1 mt -89.99 156.94 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 107.443 -1.317 . . . . 74.11 107.443 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 52.1 m -142.47 111.56 6.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.931 -0.766 . . . . 71.31 108.931 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.57 139.34 42.1 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.751 -0.659 . . . . 73.31 109.827 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.576 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 39.4 tt0 -81.68 141.65 33.42 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.234 -0.654 . . . . 74.11 109.234 174.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.449 HG12 ' HE2' ' A' ' 1' ' ' MET . 12.3 p -142.64 164.67 16.96 Favored 'Isoleucine or valine' 0 C--O 1.247 0.936 0 C-N-CA 123.899 0.88 . . . . 73.21 108.831 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -105.95 151.59 40.07 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 123.286 0.634 . . . . 71.24 109.824 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.04 -32.57 43.71 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 122.573 2.182 . . . . 74.4 112.033 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.86 -10.66 59.24 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.178 0.591 . . . . 73.52 111.766 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.18 156.71 38.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.311 0.382 . . . . 71.21 110.307 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' THR . . . . . 0.431 ' OG1' ' HG2' ' B' ' 124' ' ' GLU . 1.8 p -86.8 162.91 17.55 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.291 0.567 . . . . 74.4 110.758 169.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.562 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 30.3 mm -71.15 -21.59 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 CA-C-N 115.325 -0.852 . . . . 75.0 109.402 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' B' ' 127' ' ' LYS . 11.7 pt-20 -65.66 -16.44 63.74 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.759 0.824 . . . . 74.03 111.495 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.1 m-80 -59.4 -57.93 10.85 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.638 0.587 . . . . 74.14 109.489 165.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.49 -35.82 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.293 0.637 . . . . 74.34 110.159 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' B' ' 124' ' ' GLU . 4.4 tmmm? -58.84 -49.62 77.06 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.332 1.053 . . . . 74.23 110.528 173.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.1 74.69 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.875 -0.602 . . . . 73.35 110.523 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.2 mmtp -71.45 -42.09 68.63 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.075 0.55 . . . . 75.12 111.285 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.4 -28.18 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 110.25 -0.278 . . . . 74.23 110.25 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.64 -33.44 53.57 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.317 0.647 . . . . 74.0 110.956 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.35 -50.4 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.668 0.787 . . . . 55.0 109.928 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -83.32 -54.75 4.76 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 114.919 -1.037 . . . . 71.35 112.198 -173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -91.12 -22.42 20.7 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.854 0.297 . . . . 72.25 110.48 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . 0.457 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 82.86 26.27 46.14 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.97 -0.559 . . . . 73.5 112.881 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 59.3 mt -91.12 104.78 10.4 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 124.131 0.972 . . . . 73.32 110.085 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 50.6 Cg_exo -59.18 154.26 47.23 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.888 2.392 . . . . 72.53 112.743 172.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . 0.431 ' HD3' ' HD3' ' B' ' 127' ' ' LYS . 15.9 Cg_endo -53.74 -31.6 61.94 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 124.118 3.212 . . . . 75.32 113.003 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . 0.446 ' HB2' ' NE2' ' B' ' 140' ' ' GLN . 3.9 m-20 -54.45 -45.76 73.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.895 1.372 . . . . 75.23 112.064 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' B' ' 139' ' ' ASP . 0.0 OUTLIER -104.05 13.51 32.4 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.006 0.522 . . . . 74.11 112.39 -179.763 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -76.84 100.91 5.67 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 109.516 -0.55 . . . . 72.12 109.516 168.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.748 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 7.6 tpt180 -100.95 71.19 1.41 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 107.538 -1.282 . . . . 73.34 107.538 166.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 101.93 11.68 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 107.766 -1.198 . . . . 73.23 107.766 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -100.0 149.91 22.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.762 -0.829 . . . . 64.24 108.762 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -143.26 108.4 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.657 1.183 . . . . 71.04 107.868 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.61 23.84 13.6 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.812 0.845 . . . . 65.54 112.774 174.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.66 15.68 45.44 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.356 -0.384 . . . . 64.44 113.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -139.42 128.69 24.03 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.056 0.542 . . . . 74.44 110.126 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.55 161.18 28.48 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.013 0.925 . . . . 73.31 111.46 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.622 HD12 HD21 ' B' ' 167' ' ' LEU . 52.3 mt -115.92 117.94 31.56 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 123.703 0.801 . . . . 64.45 109.629 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . 0.516 ' HB2' ' HD3' ' B' ' 154' ' ' ARG . 4.7 mp0 -78.73 131.28 36.53 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.036 -1.098 . . . . 74.34 108.036 170.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . 0.562 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 11.2 p-10 -59.62 -30.34 68.63 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.085 0.554 . . . . 72.23 111.675 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.3 6.5 63.72 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 114.457 0.543 . . . . 73.34 114.457 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' B' ' 151' ' ' GLU . 0.9 OUTLIER -97.26 167.8 10.81 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 109.106 -0.702 . . . . 74.25 109.106 176.566 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 12.3 p -96.99 167.32 11.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.64 0.376 . . . . 73.43 110.84 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . 0.428 HD11 HG21 ' B' ' 161' ' ' ILE . 3.2 mm? -67.05 -38.72 86.34 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 108.82 -0.807 . . . . 74.13 108.82 172.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.1 t -66.47 -29.66 69.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.348 0.659 . . . . 74.4 111.657 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.23 -32.48 62.31 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.28 0.632 . . . . 75.53 111.289 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.19 -2.46 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.46 0.704 . . . . 74.1 110.914 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 59.7 t30 53.53 53.47 11.53 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.092 0.957 . . . . 75.13 109.735 -174.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.428 HG21 HD11 ' B' ' 156' ' ' LEU . 3.5 mm -64.12 111.58 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.562 -1.199 . . . . 74.12 109.681 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -87.52 165.7 15.31 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 121.647 0.737 . . . . 73.5 110.56 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -64.79 142.08 58.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 108.082 -1.081 . . . . 73.42 108.082 170.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.1 20.22 10.35 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.319 1.448 . . . . 74.43 112.268 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.0 m -54.88 126.16 23.19 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 118.566 0.621 . . . . 63.42 110.878 167.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -104.65 115.85 31.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.395 0.678 . . . . 73.13 109.658 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.622 HD21 HD12 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -118.23 151.61 37.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.541 1.137 . . . . 73.44 108.134 -174.029 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.0 tt -117.91 116.65 52.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-O 121.789 0.804 . . . . 74.32 110.19 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 57.3 tp -89.99 103.92 16.54 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.63 -1.168 . . . . 71.25 109.935 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' B' ' 142' ' ' ARG . 71.5 mt -103.43 161.58 13.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.953 1.301 . . . . 72.4 109.597 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.94 140.8 37.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.947 -1.131 . . . . 75.05 107.947 164.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' THR . . . . . 0.748 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 40.5 m -47.7 101.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.451 0.908 . . . . 72.34 113.451 -173.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.22 131.62 5.88 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.352 -1.295 . . . . 74.31 107.973 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 . . . . . 0 CA--C 1.563 1.447 0 C-N-CA 125.261 1.424 . . . . 74.53 111.737 179.873 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.186 -0.366 . . . . 72.25 112.186 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 50.9 m -154.46 15.78 0.45 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.025 0.93 . . . . 62.52 110.517 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.21 -177.72 6.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.683 0.793 . . . . 71.21 110.377 -166.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 16.4 t 67.97 37.32 3.08 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.729 1.212 . . . . 73.53 111.393 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.09 -176.11 5.36 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.048 0.939 . . . . 74.11 110.835 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 51.0 m -99.73 124.0 44.56 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.567 0.747 . . . . 74.23 109.937 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -59.23 93.78 0.05 OUTLIER Glycine 0 C--N 1.349 1.284 0 O-C-N 123.843 0.714 . . . . 71.03 113.07 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.93 -36.73 84.38 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.072 0.949 . . . . 74.44 112.018 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . 0.462 ' HB2' ' HB1' ' C' ' 744' ' ' ALA . . . -156.53 -106.24 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.571 0.748 . . . . 60.35 109.154 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 48.2 m -146.64 -85.73 0.11 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.847 -0.797 . . . . 72.54 108.847 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -21.83 43.56 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 109.998 -0.371 . . . . 75.22 109.998 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' C' ' 741' ' ' ALA . . . -69.08 -43.7 74.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.14 0.976 . . . . 50.15 110.207 174.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . 0.419 ' HB2' ' H ' ' C' ' 741' ' ' ALA . 35.6 t70 -68.26 -42.71 79.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.479 -0.782 . . . . 74.3 110.54 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.05 -56.18 13.86 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.136 1.374 . . . . 73.41 112.128 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.39 -36.37 81.18 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.711 0.632 . . . . 64.42 111.859 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.32 -55.62 32.59 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.055 0.847 . . . . 75.34 111.507 171.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.1 -24.59 67.48 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.096 -0.502 . . . . 72.22 111.037 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.61 -39.64 67.11 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.146 0.579 . . . . 72.33 109.726 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.59 -36.29 83.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.834 0.854 . . . . 75.55 110.323 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.2 -34.63 71.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.018 -0.992 . . . . 74.1 109.781 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.37 -34.35 65.54 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.001 0.92 . . . . 73.0 109.364 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.467 ' O ' HG13 ' C' ' 758' ' ' ILE . 12.4 m-85 -65.59 -39.6 91.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.975 -1.011 . . . . 73.54 109.829 171.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -72.79 -26.03 61.37 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 115.677 -0.692 . . . . 74.13 110.262 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 81.7 m -64.39 -39.82 94.61 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 108.917 -0.771 . . . . 74.23 108.917 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . 0.449 ' HA ' HD23 ' A' ' 70' ' ' LEU . 32.7 m-85 -59.21 -66.86 0.44 Allowed 'General case' 0 C--N 1.361 1.098 0 O-C-N 123.864 0.728 . . . . 74.32 110.311 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.484 HG22 HG22 ' C' ' 773' ' ' ILE . 13.4 mt -62.8 -36.62 76.26 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 O-C-N 124.197 0.935 . . . . 74.42 111.069 -166.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.74 -61.93 1.98 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.664 0.386 . . . . 71.33 110.184 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.491 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -65.2 -20.62 66.52 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.226 0.536 . . . . 71.31 111.155 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.536 ' HG2' ' HB2' ' C' ' 766' ' ' GLU . 25.5 ttt -74.53 -59.65 2.64 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 125.113 1.365 . . . . 72.25 109.925 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . 0.456 ' HB2' HD23 ' C' ' 817' ' ' LEU . 75.0 mt -61.29 -25.3 67.01 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 124.25 1.02 . . . . 74.52 112.213 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 763' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 73' ' ' LEU . 26.3 m -49.59 -32.58 13.04 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.657 1.583 . . . . 74.4 113.126 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -151.96 -28.73 0.17 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.042 0.537 . . . . 71.33 111.219 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . 0.436 ' HB3' ' O ' ' C' ' 761' ' ' MET . 1.4 tm? -93.57 -72.51 0.6 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.383 1.073 . . . . 74.34 110.775 -167.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . 0.663 ' HG2' HG23 ' C' ' 773' ' ' ILE . 13.4 tp10 -85.25 42.77 0.96 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.768 -0.583 . . . . 74.33 112.466 -166.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 50.8 m -70.61 52.15 0.14 Allowed 'General case' 0 CA--C 1.57 1.736 0 C-N-CA 123.97 0.908 . . . . 62.24 112.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -122.79 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.636 1.174 . . . . 74.34 111.005 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 34.4 t -74.08 143.56 45.36 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.854 1.057 . . . . 73.53 113.854 -156.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . 0.447 ' HA ' ' CD1' ' C' ' 773' ' ' ILE . 12.7 tp -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.838 -1.074 . . . . 61.44 110.565 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -53.99 -33.4 56.98 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.382 0.61 . . . . 74.45 110.736 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.436 ' HE ' ' HD1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -67.3 -66.45 0.56 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.519 -1.218 . . . . 75.33 111.208 -176.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.663 HG23 ' HG2' ' C' ' 766' ' ' GLU . 0.2 OUTLIER -60.25 -30.39 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-N 118.994 0.816 . . . . 71.2 111.269 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.424 ' HH ' HD21 ' C' ' 792' ' ' LEU . 55.4 t80 -58.28 -57.85 11.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.385 0.274 . . . . 73.33 110.439 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -69.44 -28.72 66.36 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.006 0.373 . . . . 64.05 112.006 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.445 ' HG3' ' HE3' ' C' ' 761' ' ' MET . 96.1 mmm -61.77 -55.21 32.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.028 0.442 . . . . 71.04 110.155 171.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.438 HD23 HG12 ' C' ' 758' ' ' ILE . 1.0 OUTLIER -55.01 -38.37 67.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.654 1.581 . . . . 75.42 112.378 176.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -64.46 -43.74 93.29 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 123.664 0.785 . . . . 74.43 110.559 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 779' ' ' MET . . . . . 0.532 ' HE3' ' HB1' ' A' ' 66' ' ' ALA . 1.3 tmt? -57.41 -47.18 82.41 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.689 -0.687 . . . . 61.23 110.605 174.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.32 -34.33 75.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.444 0.535 . . . . 72.01 112.444 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.446 HG11 HG12 ' C' ' 790' ' ' ILE . 6.2 p -79.08 -26.31 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.705 0.261 . . . . 74.22 111.705 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.05 -34.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 122.089 -0.382 . . . . 63.24 110.668 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 783' ' ' THR . . . . . 0.44 HG23 ' HE1' ' C' ' 779' ' ' MET . 33.5 p -77.56 -26.19 50.72 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.054 0.455 . . . . 75.43 110.742 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.89 93.61 0.55 Allowed Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 108.743 -1.743 . . . . 72.12 108.743 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -70.65 11.56 0.48 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.38 2.72 . . . . 62.35 113.832 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.89 56.78 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.801 1.24 . . . . 74.22 112.989 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 68.2 mt -112.89 -5.12 13.86 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.315 0.646 . . . . 75.22 110.995 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.9 -67.75 0.14 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.63 1.572 . . . . 64.03 111.672 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -147.53 115.85 6.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.838 1.255 . . . . 75.35 108.911 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.446 HG12 HG11 ' C' ' 781' ' ' VAL . 31.7 pt -77.48 153.39 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.877 -0.786 . . . . 73.35 108.877 165.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' C' ' 793' ' ' GLN . 16.2 t70 -113.19 167.03 10.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.906 0.483 . . . . 62.02 109.915 -173.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . 0.424 HD21 ' HH ' ' C' ' 774' ' ' TYR . 4.2 mm? -57.24 -54.18 49.71 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 123.667 0.787 . . . . 72.35 110.661 176.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . 0.402 ' HG3' ' OD2' ' C' ' 791' ' ' ASP . 0.0 OUTLIER -63.02 -32.91 74.38 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.996 0.369 . . . . 74.14 111.996 -175.376 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.08 -49.78 33.6 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.089 0.556 . . . . 53.45 111.899 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.85 -49.85 41.68 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.668 0.787 . . . . 73.11 109.393 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . 0.485 ' HA ' HD13 ' C' ' 799' ' ' LEU . 54.0 tt0 -58.28 -46.58 85.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 72.44 111.211 171.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.19 77.18 Favored Glycine 0 N--CA 1.477 1.414 0 O-C-N 123.57 0.544 . . . . 62.32 113.837 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' C' ' 802' ' ' LYS . 29.6 t80 -65.27 -52.63 53.09 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.956 0.902 . . . . 74.32 109.052 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' C' ' 796' ' ' GLN . 12.1 mt -56.84 -39.8 74.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.734 1.214 . . . . 75.53 111.801 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -43.38 90.07 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.841 1.257 . . . . 72.11 109.776 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -52.6 65.0 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 108.525 -0.917 . . . . 73.34 108.525 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.46 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.1 mmtt -53.62 -46.31 70.42 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.023 0.827 . . . . 73.12 111.963 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.2 t -60.35 -49.64 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.368 0.667 . . . . 74.34 110.476 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -73.72 -9.41 58.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.676 . . . . 74.12 112.362 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -94.61 -1.33 53.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.77 0.828 . . . . 74.14 112.038 174.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.5 12.19 7.98 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.417 1.487 . . . . 75.22 111.107 -173.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -79.94 -24.76 40.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.175 0.99 . . . . 72.4 109.421 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.46 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.8 OUTLIER -134.53 146.77 50.0 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.593 1.157 . . . . 73.54 108.197 -178.511 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.71 119.73 60.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 C-N-CA 123.826 0.85 . . . . 74.54 108.869 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -93.23 106.63 18.57 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.089 -1.448 . . . . 70.34 107.089 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 37.4 t -89.53 -133.67 0.1 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.478 -0.934 . . . . 75.35 108.478 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.9 72.24 2.08 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.025 0.83 . . . . 62.43 111.128 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.62 23.62 77.56 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 116.234 -0.439 . . . . 72.24 112.561 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.28 150.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.201 0.6 . . . . 73.44 110.248 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.14 134.77 46.0 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 109.198 -0.667 . . . . 75.31 109.198 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 141.8 22.33 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.129 -0.941 . . . . 74.34 109.18 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' C' ' 762' ' ' LEU . 1.0 OUTLIER -86.46 127.16 61.96 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-N 118.017 0.371 . . . . 74.25 110.603 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.04 141.13 39.37 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.626 2.218 . . . . 74.11 112.231 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -129.03 9.29 5.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.879 0.872 . . . . 74.0 111.051 170.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.93 123.89 20.15 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.107 0.563 . . . . 74.13 110.043 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 55.0 m -137.44 163.18 31.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.847 1.259 . . . . 71.04 108.848 174.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.252 1.221 0 N-CA-C 109.507 -0.553 . . . . 62.04 109.507 -176.272 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.95 -0.46 . . . . 45.04 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HE2' HG12 ' B' ' 117' ' ' VAL . 0.0 OUTLIER -148.47 163.62 36.62 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.898 0.879 . . . . 72.2 109.275 -171.414 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.66 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 0.5 OUTLIER -99.89 159.45 15.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.745 -0.661 . . . . 74.12 109.326 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.503 HD13 HD13 ' B' ' 115' ' ' LEU . 14.1 pt -135.72 162.15 37.44 Favored 'Isoleucine or valine' 0 C--O 1.247 0.943 0 C-N-CA 124.306 1.042 . . . . 74.53 108.878 174.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 23.0 m-85 -115.56 117.32 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.322 -0.853 . . . . 73.13 108.863 172.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.6 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 47.4 t -96.22 93.2 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.692 -1.225 . . . . 75.43 107.692 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 97.6 8.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.098 -0.956 . . . . 75.43 110.475 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -94.36 128.57 40.96 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.079 0.466 . . . . 74.44 110.421 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.98 141.09 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.894 0.878 . . . . 72.31 109.841 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -139.05 148.28 43.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.527 0.731 . . . . 74.22 109.654 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -94.28 118.88 32.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.542 -0.91 . . . . 72.53 108.542 170.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -127.86 113.17 15.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.829 0.347 . . . . 74.33 110.993 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 28.0 m -88.08 129.08 35.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.254 0.622 . . . . 73.13 110.15 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 mm -107.3 112.54 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.821 -0.807 . . . . 73.23 108.821 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.44 HG22 ' CD1' ' B' ' 104' ' ' PHE . 25.6 p -87.3 128.1 35.18 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.64 0.376 . . . . 74.53 110.746 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.07 170.08 16.58 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.82 0.848 . . . . 74.43 110.04 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.797 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 3.3 tm-20 -121.47 132.95 55.02 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 106.916 -1.512 . . . . 75.52 106.916 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 26' ' ' VAL . 12.0 m -136.17 172.15 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.197 0.599 . . . . 75.02 111.502 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -104.63 155.03 38.03 Favored Pre-proline 0 N--CA 1.479 0.985 0 N-CA-C 108.728 -0.841 . . . . 74.41 108.728 173.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.85 -36.02 33.23 Favored 'Trans proline' 0 C--N 1.365 1.426 0 C-N-CA 122.326 2.017 . . . . 70.04 111.24 170.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 p -78.78 -11.25 59.98 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.417 0.687 . . . . 73.35 112.172 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.77 153.5 43.15 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.555 0.742 . . . . 74.54 110.171 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.421 ' HB ' ' HG2' ' A' ' 24' ' ' GLU . 7.2 p -82.72 157.3 23.35 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.645 0.736 . . . . 75.13 110.311 167.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.747 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.3 mm -69.06 -28.24 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.389 -1.278 . . . . 70.42 111.045 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' HB ' ' A' ' 22' ' ' THR . 11.5 pt-20 -66.03 -18.88 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.052 0.541 . . . . 70.34 111.085 -178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 51.3 m-20 -66.0 -52.41 49.62 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.039 0.837 . . . . 73.42 109.424 169.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG22 HG13 ' A' ' 17' ' ' VAL . 96.0 t -54.43 -49.06 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.319 1.048 . . . . 74.55 110.549 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -58.34 -48.56 80.16 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.893 -1.503 . . . . 74.14 111.008 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.57 66.05 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.615 -0.72 . . . . 73.22 111.501 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 71.1 mmtt -72.98 -46.49 52.0 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 122.835 0.454 . . . . 75.55 110.329 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.62 ' HB ' HD13 ' A' ' 36' ' ' ILE . 16.0 pt -69.77 -32.38 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 CA-C-O 120.789 0.328 . . . . 74.15 110.779 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.74 -35.46 80.17 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 123.415 0.686 . . . . 63.1 110.91 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.84 -49.01 64.55 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.56 0.744 . . . . 73.4 110.48 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.2 mmtt -75.49 -65.65 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.558 0.743 . . . . 71.21 110.881 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB3' HG13 ' A' ' 36' ' ' ILE . 40.6 tt0 -90.27 -31.17 17.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.805 0.442 . . . . 74.41 111.031 -172.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 27.05 9.1 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.848 -0.615 . . . . 60.51 112.17 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.62 HD13 ' HB ' ' A' ' 30' ' ' ILE . 57.7 mt -65.6 112.76 9.4 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.103 0.961 . . . . 72.33 110.665 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 Cg_endo -70.13 111.27 2.84 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.215 2.61 . . . . 71.4 112.583 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 Cg_endo -57.97 -37.77 94.72 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.843 3.028 . . . . 74.13 114.128 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.67 -41.67 82.02 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 124.399 1.062 . . . . 73.12 112.39 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.519 ' HB2' ' HG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -94.44 -11.13 30.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.178 -0.464 . . . . 73.02 111.75 -178.401 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -78.73 143.54 36.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.873 0.869 . . . . 64.12 111.629 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -136.53 74.01 1.48 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.317 1.447 . . . . 75.52 107.148 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.91 121.17 17.63 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.618 -0.882 . . . . 74.33 108.618 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 15.7 mt -125.71 143.96 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.81 0.844 . . . . 73.11 110.681 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HB2' HD21 ' A' ' 50' ' ' LEU . 27.0 t80 -131.8 112.77 12.78 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.914 1.686 . . . . 74.03 109.419 -174.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.39 18.96 9.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.679 0.792 . . . . 71.42 112.171 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.99 59.01 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.638 -0.71 . . . . 74.03 113.936 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -122.52 112.56 18.18 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 107.649 -1.241 . . . . 63.34 107.649 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 34.8 tt0 -70.33 137.01 50.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.772 -0.649 . . . . 74.21 109.809 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.747 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.1 mm? -80.43 100.82 8.68 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 124.19 0.996 . . . . 71.42 108.789 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 11.9 mp0 -65.08 123.49 19.62 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.536 -1.283 . . . . 75.53 107.536 166.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.24 -36.87 78.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.969 0.508 . . . . 62.55 111.438 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 13.35 31.21 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.575 -0.569 . . . . 72.5 114.223 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.447 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.0 tpt180 -98.31 178.48 5.04 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.824 0.85 . . . . 72.35 109.222 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -108.94 150.72 27.31 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.306 -0.627 . . . . 71.43 109.306 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 23' ' ' ILE . 3.5 mm? -57.59 -40.07 78.2 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.477 -0.564 . . . . 74.33 109.477 175.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.2 t -62.76 -29.04 70.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.352 1.061 . . . . 74.12 113.182 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.09 -35.93 69.99 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.23 0.538 . . . . 75.01 110.786 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' HB2' HG12 ' A' ' 61' ' ' ILE . 51.8 m-85 -93.36 -8.3 42.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.148 -0.933 . . . . 74.41 110.263 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 t30 48.72 56.61 7.38 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.705 1.202 . . . . 75.31 109.763 -168.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.527 HG12 ' HB2' ' A' ' 59' ' ' TYR . 3.3 mm -62.22 111.52 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 113.995 -1.457 . . . . 72.25 109.322 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -81.84 -178.86 7.16 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.593 -0.73 . . . . 74.44 110.206 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.8 ttmt -79.01 144.1 35.03 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.573 -0.528 . . . . 75.21 109.573 170.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 40.2 mt-10 63.43 28.41 15.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.869 1.356 . . . . 74.44 111.576 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.9 m -60.89 118.22 6.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 115.44 -0.8 . . . . 74.4 109.546 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 120.51 31.42 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.906 -0.776 . . . . 73.41 108.906 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.83 162.91 16.98 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.942 -1.503 . . . . 74.13 106.942 174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 tt -135.59 138.78 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-O 121.096 0.474 . . . . 74.4 110.322 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 HG22 ' B' ' 107' ' ' THR . 10.9 mp -79.97 118.7 21.95 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.347 -0.842 . . . . 74.14 109.828 170.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 ' HB2' ' C' ' 760' ' ' ALA . 64.7 mt -95.48 158.87 15.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 105.851 -1.907 . . . . 62.25 105.851 159.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' C' ' 764' ' ' ASN . 2.4 pt? -126.38 171.96 10.56 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.406 -0.59 . . . . 73.24 109.406 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.519 ' HG1' ' HB2' ' A' ' 40' ' ' GLN . 41.2 m -35.31 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.155 1.382 . . . . 73.43 114.266 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 tp -86.5 -33.47 20.32 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.801 -1.545 . . . . 72.12 108.761 167.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.147 -1.388 . . . . 74.14 109.897 -172.175 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.977 0 N-CA-C 111.024 -0.83 . . . . 71.52 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.427 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -157.56 154.26 28.26 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.46 0.704 . . . . 73.5 110.675 178.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . 0.797 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 19.4 mp0 -107.55 125.24 51.05 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.327 -0.99 . . . . 75.2 108.327 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.89 160.33 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.984 0.514 . . . . 71.23 110.436 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.44 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -120.17 105.7 11.23 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.514 -0.921 . . . . 75.03 108.514 -172.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 30' ' ' ILE . 27.6 m -99.25 106.87 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 107.904 -1.147 . . . . 74.25 107.904 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 37.2 t0 -87.7 138.19 31.68 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.864 -1.062 . . . . 75.43 110.311 -170.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.49 HG22 HD23 ' A' ' 69' ' ' LEU . 62.6 p -129.38 144.15 51.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.54 0.736 . . . . 64.24 111.308 -166.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -91.21 109.34 20.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.37 -0.974 . . . . 64.22 108.37 174.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -98.96 95.24 7.02 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.664 -0.698 . . . . 73.2 109.896 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -99.24 131.97 44.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.28 1.032 . . . . 75.41 109.194 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -132.77 144.33 50.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.763 1.225 . . . . 73.44 108.52 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 40.1 m -115.98 113.15 22.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.894 0.878 . . . . 75.31 109.814 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.6 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 40.5 mt -92.45 159.77 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 108.42 -0.956 . . . . 73.1 108.42 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 64.9 m -132.34 107.41 8.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.244 0.618 . . . . 74.32 109.761 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.503 HD13 HD13 ' A' ' 3' ' ' ILE . 3.8 tt -117.9 138.73 51.94 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.686 1.194 . . . . 72.14 108.504 -172.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 26.2 mt-10 -102.98 117.39 34.48 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.337 0.589 . . . . 65.11 110.21 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . 0.427 HG12 ' HE2' ' A' ' 1' ' ' MET . 9.8 p -124.74 166.12 20.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 115.045 -0.98 . . . . 74.44 110.707 -173.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -109.66 152.62 42.95 Favored Pre-proline 0 N--CA 1.476 0.847 0 N-CA-C 108.777 -0.823 . . . . 73.52 108.777 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.89 -32.6 54.79 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.185 1.923 . . . . 72.34 111.302 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 40.7 m -87.65 5.53 39.14 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.934 0.894 . . . . 74.44 112.392 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -82.34 153.24 25.88 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.566 -0.531 . . . . 74.15 109.566 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -82.75 165.75 19.65 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.52 -0.764 . . . . 71.4 109.604 165.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 154' ' ' ARG . 30.9 mm -64.3 -28.1 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 115.373 -0.83 . . . . 75.31 110.897 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.14 -28.21 62.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.482 0.713 . . . . 72.02 111.493 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 44.4 m-80 -62.31 -55.25 30.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.603 0.761 . . . . 74.21 110.161 174.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.68 -47.49 85.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 C-N-CA 124.27 1.028 . . . . 75.11 110.819 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.38 -38.6 81.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.033 -1.439 . . . . 65.11 110.951 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.67 61.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.968 -0.539 . . . . 74.52 110.89 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 70.7 mmtt -66.59 -56.76 9.26 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 118.237 0.471 . . . . 73.15 110.512 173.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.564 HG22 HG12 ' A' ' 5' ' ' VAL . 7.9 pt -63.52 -29.39 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 120.853 0.359 . . . . 75.24 111.698 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.87 -42.77 85.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.762 0.825 . . . . 73.32 111.506 170.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.95 -38.35 85.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.015 0.526 . . . . 62.34 110.927 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -83.13 -45.66 13.68 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.951 -1.022 . . . . 65.32 112.735 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.3 -8.48 14.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.94 0.719 . . . . 62.33 112.94 -175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.97 23.2 62.08 Favored Glycine 0 N--CA 1.473 1.157 0 CA-C-O 119.859 -0.412 . . . . 64.24 113.262 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.73 112.25 23.31 Favored Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 109.253 -0.647 . . . . 73.22 109.253 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -58.26 130.76 39.34 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.666 2.244 . . . . 75.22 112.032 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.65 -44.32 49.12 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 124.214 3.276 . . . . 70.14 113.919 -168.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.77 -25.16 48.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.281 -0.872 . . . . 63.41 111.024 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -92.72 20.44 6.45 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.102 0.561 . . . . 73.2 111.48 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . 0.415 HE21 HD12 ' B' ' 169' ' ' LEU . 5.0 pt20 -136.59 130.7 32.73 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.466 0.651 . . . . 75.32 110.03 173.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.422 HH22 HG11 ' C' ' 814' ' ' VAL . 30.8 mtp-105 -106.89 110.1 22.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.672 1.189 . . . . 72.02 108.906 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.499 ' HB2' HD23 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -89.95 127.5 36.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.061 -1.089 . . . . 65.41 108.061 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.15 139.46 51.23 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.193 0.597 . . . . 73.13 109.921 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' PHE . . . . . 0.524 ' HB2' HD22 ' B' ' 150' ' ' LEU . 36.9 t80 -142.37 107.09 4.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.148 0.979 . . . . 64.51 109.065 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.86 36.48 27.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.297 0.998 . . . . 65.45 110.615 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.37 6.45 83.9 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.091 -0.959 . . . . 61.32 114.154 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -124.39 126.13 45.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.446 0.698 . . . . 75.21 110.074 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.09 139.48 56.21 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.918 0.487 . . . . 74.02 110.715 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' B' ' 145' ' ' PHE . 2.0 mm? -86.88 105.74 17.27 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.883 0.873 . . . . 71.3 109.193 175.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.67 132.42 44.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.353 1.061 . . . . 74.42 111.236 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -45.65 -57.01 4.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.679 1.591 . . . . 70.41 113.361 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -91.72 27.11 10.3 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.358 -0.837 . . . . 75.14 113.383 -176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ARG . . . . . 0.447 ' O ' HG12 ' B' ' 123' ' ' ILE . 63.5 ttt180 -113.67 160.6 18.44 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.522 -1.288 . . . . 74.2 107.522 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 12.1 m -103.4 148.43 25.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.358 0.503 . . . . 70.32 112.358 -163.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.6 -44.64 77.18 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.007 0.923 . . . . 73.21 110.567 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.5 t -61.84 -37.37 84.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.134 -0.939 . . . . 74.34 112.066 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.73 -34.27 71.17 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.0 0.813 . . . . 73.24 110.948 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' TYR . . . . . 0.405 ' OH ' ' HD3' ' B' ' 154' ' ' ARG . 91.2 m-85 -92.6 -9.63 40.37 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.371 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.87 50.3 7.02 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.828 0.851 . . . . 71.35 110.648 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' ILE . . . . . 0.427 HG21 ' OG ' ' B' ' 165' ' ' SER . 1.7 mp -62.2 120.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.971 -0.751 . . . . 75.43 108.971 167.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -101.67 173.1 6.57 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.376 0.608 . . . . 73.44 109.803 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' B' ' 164' ' ' GLU . 16.6 ptmt -62.72 139.07 58.65 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.818 -0.628 . . . . 72.14 109.399 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 163' ' ' LYS . 7.1 pt-20 64.54 15.09 9.4 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.098 1.759 . . . . 65.21 112.745 -176.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' SER . . . . . 0.441 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 98.5 p -61.46 121.49 12.82 Favored 'General case' 0 C--N 1.368 1.387 0 CA-C-N 117.862 0.301 . . . . 74.12 110.38 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.56 126.89 35.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.343 0.657 . . . . 73.03 111.204 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' B' ' 145' ' ' PHE . 0.4 OUTLIER -122.45 131.14 53.72 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.896 -1.52 . . . . 75.24 106.896 175.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.501 HD13 ' HB2' ' C' ' 767' ' ' SER . 16.7 tt -94.1 116.61 35.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 122.184 0.992 . . . . 62.34 109.852 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' LEU . . . . . 0.415 HD12 HE21 ' B' ' 141' ' ' GLN . 44.2 tp -80.51 108.64 14.31 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.789 -1.551 . . . . 73.04 110.096 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.39 158.16 15.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.948 1.299 . . . . 73.1 109.209 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.28 174.46 8.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.492 0.717 . . . . 75.5 110.706 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.3 t -40.86 149.46 0.08 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.043 1.337 . . . . 64.55 113.251 167.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 tm? 77.68 129.72 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.496 1.518 . . . . 73.21 110.082 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.731 1.212 . . . . 74.54 110.254 -173.229 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.893 -0.483 . . . . 63.04 111.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 49.8 m -140.99 121.79 14.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.154 0.982 . . . . 73.31 110.021 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -166.4 164.61 17.39 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.836 1.254 . . . . 71.55 108.451 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 27.9 t 61.52 24.51 14.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.832 0.853 . . . . 75.11 110.626 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -88.91 64.21 7.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.174 0.99 . . . . 61.11 109.618 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 66.6 m -142.75 -38.15 0.36 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.579 -1.191 . . . . 74.55 109.7 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.72 -84.8 0.88 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.477 -0.783 . . . . 72.31 112.201 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 84.1 mtp -106.89 144.06 34.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.642 0.777 . . . . 72.32 110.641 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -84.55 65.59 9.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.057 0.943 . . . . 74.14 108.722 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 47.2 t -166.94 -31.9 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.948 -1.478 . . . . 64.13 110.491 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -95.01 -43.14 8.28 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.092 0.557 . . . . 71.42 111.547 -176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -89.0 -15.12 34.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.503 0.721 . . . . 74.44 112.74 -168.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.8 -47.25 77.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.996 0.918 . . . . 75.02 112.105 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.74 -44.46 81.71 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.024 0.827 . . . . 74.54 111.497 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -69.32 -49.62 54.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.641 1.176 . . . . 74.33 109.865 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.95 -45.59 94.12 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.27 -1.332 . . . . 74.14 111.692 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.43 -27.65 59.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.098 -0.501 . . . . 60.14 109.706 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.85 -40.41 95.11 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.708 0.63 . . . . 73.1 110.043 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.92 -38.48 86.29 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.442 0.697 . . . . 70.23 110.683 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.08 -35.31 80.18 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.058 0.943 . . . . 74.3 108.876 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.5 -47.15 76.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.159 0.984 . . . . 64.42 109.725 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 754' ' ' PHE . . . . . 0.5 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 44.3 m-85 -57.58 -35.21 70.08 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 109.559 -0.534 . . . . 74.35 109.559 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 755' ' ' TRP . . . . . 0.469 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 25.6 t-105 -72.98 -37.18 67.13 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.83 -0.623 . . . . 75.5 111.054 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.0 m -59.91 -39.39 85.27 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.496 -0.557 . . . . 75.0 109.496 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -65.63 0.62 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.841 -1.072 . . . . 74.33 110.917 171.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 758' ' ' ILE . . . . . 0.485 HD13 HD21 ' C' ' 777' ' ' LEU . 59.7 mt -60.18 -30.51 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 123.83 0.852 . . . . 71.14 111.915 -172.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -77.19 -48.32 17.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.731 0.412 . . . . 73.22 110.305 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 760' ' ' ALA . . . . . 0.538 ' HB2' HD12 ' A' ' 70' ' ' LEU . . . -75.41 -17.73 60.11 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.886 0.474 . . . . 74.23 111.318 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 761' ' ' MET . . . . . 0.563 ' HE3' ' HG3' ' C' ' 776' ' ' MET . 20.4 ttt -74.12 -58.76 3.08 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.858 1.263 . . . . 75.34 109.93 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.76 -12.59 60.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.139 0.976 . . . . 72.15 112.323 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 -24.91 63.86 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.888 0.375 . . . . 73.44 110.93 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 764' ' ' ASN . . . . . 0.505 ' HB2' HD12 ' A' ' 71' ' ' LEU . 6.2 t30 -119.16 -53.5 2.25 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.643 1.177 . . . . 73.21 110.1 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 6.3 tp -82.49 58.13 4.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.753 1.221 . . . . 75.02 108.659 -172.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.87 76.06 6.56 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.46 -1.245 . . . . 53.44 112.638 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 767' ' ' SER . . . . . 0.501 ' HB2' HD13 ' B' ' 168' ' ' ILE . 22.6 m 155.23 123.4 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 127.414 2.285 . . . . 74.15 109.772 162.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.85 155.85 30.41 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.715 0.806 . . . . 73.32 111.723 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 769' ' ' SER . . . . . 0.504 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 45.9 t -59.52 148.85 31.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.138 0.575 . . . . 72.02 110.395 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.74 -34.57 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 108.375 -0.972 . . . . 74.24 108.375 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.75 -47.45 82.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.427 0.691 . . . . 73.34 111.306 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 772' ' ' ARG . . . . . 0.504 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 75.9 mtt85 -59.75 -54.69 43.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.278 0.631 . . . . 73.02 111.248 -178.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 773' ' ' ILE . . . . . 0.466 HD12 HD23 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -63.61 -35.95 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.104 0.561 . . . . 74.11 110.715 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 774' ' ' TYR . . . . . 0.615 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 52.2 t80 -59.25 -48.36 81.91 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.297 0.639 . . . . 74.25 110.532 173.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -38.61 89.61 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.9 0.88 . . . . 75.31 110.657 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 776' ' ' MET . . . . . 0.563 ' HG3' ' HE3' ' C' ' 761' ' ' MET . 84.6 mmm -60.88 -54.18 48.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.271 -0.877 . . . . 73.35 110.626 175.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 777' ' ' LEU . . . . . 0.485 HD21 HD13 ' C' ' 758' ' ' ILE . 9.2 mp -60.15 -29.86 68.93 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.756 0.822 . . . . 74.11 112.224 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 778' ' ' ARG . . . . . 0.475 ' HD2' HG21 ' C' ' 790' ' ' ILE . 9.2 mmm180 -66.57 -46.51 75.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.588 -0.523 . . . . 73.31 109.588 175.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -50.08 65.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.512 0.725 . . . . 75.23 109.9 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 780' ' ' PHE . . . . . 0.5 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 15.9 m-85 -66.0 -34.46 78.15 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.762 -0.653 . . . . 72.23 111.721 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 781' ' ' VAL . . . . . 0.523 HG11 ' H ' ' C' ' 790' ' ' ILE . 5.3 p -75.9 -37.11 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 111.724 0.268 . . . . 64.21 111.724 -178.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.9 m -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.021 0.378 . . . . 74.41 112.021 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 9.0 p -65.94 -19.4 65.85 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 111.954 0.353 . . . . 72.23 111.954 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.72 15.61 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 110.888 -0.885 . . . . 72.41 110.888 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.44 -41.31 50.17 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 121.855 1.704 . . . . 73.41 111.299 167.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 34.81 -92.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 126.713 2.005 . . . . 42.15 115.37 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.95 17.24 4.18 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.648 1.179 . . . . 71.21 109.593 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.95 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 126.227 1.811 . . . . 72.52 110.414 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.01 111.37 3.92 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.369 -1.345 . . . . 75.31 107.369 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 790' ' ' ILE . . . . . 0.523 ' H ' HG11 ' C' ' 781' ' ' VAL . 12.8 tt -72.21 131.86 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.631 0.772 . . . . 75.2 109.133 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -116.33 164.09 15.04 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.783 -0.644 . . . . 64.04 110.725 -169.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.2 -31.52 70.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.067 0.947 . . . . 74.14 112.326 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -54.16 -57.74 9.98 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.116 0.96 . . . . 61.44 109.724 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.3 -33.46 67.41 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 113.088 -1.869 . . . . 73.44 110.514 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 795' ' ' LEU . . . . . 0.615 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -67.65 -59.43 3.34 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.782 0.833 . . . . 62.31 109.894 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -66.13 -26.88 67.65 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.846 -0.616 . . . . 74.43 110.302 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.24 81.16 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 123.933 0.771 . . . . 64.22 112.36 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 798' ' ' TYR . . . . . 0.469 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 4.4 t80 -66.14 -51.92 53.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.524 0.73 . . . . 73.14 109.385 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 799' ' ' LEU . . . . . 0.466 HD23 HD12 ' C' ' 773' ' ' ILE . 4.1 mm? -64.65 -36.41 84.16 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.445 -0.798 . . . . 75.44 111.175 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.02 -50.48 72.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.404 0.682 . . . . 74.1 109.95 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 801' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' C' ' 805' ' ' ASP . 17.1 tptm -57.63 -54.83 42.42 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.382 1.051 . . . . 75.23 110.426 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 802' ' ' LYS . . . . . 0.422 ' HB3' HD21 ' C' ' 808' ' ' LEU . 72.7 mmtt -58.74 -35.68 73.11 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 113.025 0.75 . . . . 73.33 113.025 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.52 -43.93 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.128 0.571 . . . . 72.44 110.287 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -77.13 -8.6 57.78 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.141 0.576 . . . . 74.21 111.814 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 805' ' ' ASP . . . . . 0.454 ' HB2' ' HE2' ' C' ' 801' ' ' LYS . 34.3 t70 -99.11 -8.96 24.45 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.514 1.125 . . . . 63.34 111.377 173.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 64.62 19.83 11.95 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 125.076 1.35 . . . . 64.21 111.889 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -87.47 -17.83 31.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.466 1.106 . . . . 72.15 110.556 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 808' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' C' ' 802' ' ' LYS . 1.0 OUTLIER -120.94 146.23 46.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.106 0.962 . . . . 73.11 109.853 174.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.6 t -105.83 134.3 47.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 125.236 1.415 . . . . 64.21 108.825 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.44 106.69 18.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.713 -1.217 . . . . 75.13 107.713 171.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 811' ' ' SER . . . . . 0.582 ' HB2' HG21 ' C' ' 814' ' ' VAL . 74.0 m -85.94 -145.54 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 N-CA-C 109.046 -0.724 . . . . 73.22 109.046 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.31 75.46 0.73 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.596 0.635 . . . . 74.52 110.876 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.92 19.67 78.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 116.481 -0.327 . . . . 64.22 113.557 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 814' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' C' ' 811' ' ' SER . 18.2 m -134.49 154.8 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.878 0.871 . . . . 73.55 110.551 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -104.32 146.87 28.19 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.544 0.738 . . . . 72.42 110.429 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -159.53 157.56 30.18 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.327 1.017 . . . . 72.31 111.138 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 1.3 mp -81.66 125.75 77.47 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 122.481 0.312 . . . . 74.21 111.552 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 818' ' ' PRO . . . . . 0.512 ' HB2' ' HA ' ' C' ' 821' ' ' CYS . 34.2 Cg_endo -66.89 -42.07 9.18 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.714 2.276 . . . . 75.21 112.294 172.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt 66.17 -71.01 0.09 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 125.684 1.594 . . . . 75.14 112.276 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -68.54 -38.48 80.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.93 0.492 . . . . 74.44 110.056 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 821' ' ' CYS . . . . . 0.512 ' HA ' ' HB2' ' C' ' 818' ' ' PRO . 28.6 m 66.24 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 C-N-CA 125.847 1.659 . . . . 75.43 112.177 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.558 1.272 0 C-N-CA 124.332 1.053 . . . . 62.03 111.851 -171.777 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 110.76 -0.936 . . . . 45.03 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 148.15 48.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.008 0.433 . . . . 74.4 110.112 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.624 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 16.6 mp0 -91.62 161.21 15.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 73.22 110.095 -174.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -138.98 146.61 25.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-O 121.473 0.654 . . . . 73.22 109.323 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 16.0 m-30 -100.95 116.79 33.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.659 -1.237 . . . . 74.32 107.659 172.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.66 ' HB ' HD11 ' B' ' 169' ' ' LEU . 17.3 m -107.14 102.49 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 122.106 0.955 . . . . 72.22 109.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.417 ' HB2' HG22 ' B' ' 168' ' ' ILE . 2.4 m-20 -78.12 102.34 7.46 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.377 -1.283 . . . . 74.35 110.033 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 t -89.14 110.41 21.15 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.726 -0.842 . . . . 50.54 108.726 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.7 43.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 115.199 -0.91 . . . . 72.52 109.826 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HB3' ' HZ3' ' A' ' 11' ' ' LYS . 48.4 mt-30 -118.84 84.15 2.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.418 -0.956 . . . . 63.34 108.418 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HB2' HD11 ' C' ' 765' ' ' LEU . 32.0 t-105 -99.0 103.29 15.23 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 106.383 -1.71 . . . . 62.31 106.383 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' B' ' 171' ' ' LEU . 26.5 pttm -160.54 155.4 24.2 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.248 0.342 . . . . 74.45 111.435 -173.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.43 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 5.5 m -99.4 137.4 37.95 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.803 -0.635 . . . . 74.2 110.242 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.22 158.19 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 107.644 -1.243 . . . . 74.12 107.644 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.0 m -125.55 132.39 52.58 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.658 0.663 . . . . 71.02 109.944 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -136.93 170.93 15.28 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.004 1.322 . . . . 72.25 108.341 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 32.5 tt0 -113.4 159.53 19.36 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.358 -0.608 . . . . 74.23 109.358 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.39 163.42 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.431 0.692 . . . . 73.14 110.798 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -108.87 153.8 42.2 Favored Pre-proline 0 N--CA 1.484 1.251 0 C-N-CA 123.659 0.784 . . . . 75.42 109.783 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.39 -30.57 36.33 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.038 2.492 . . . . 51.25 113.182 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -84.84 -10.17 57.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.071 0.948 . . . . 63.11 111.812 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.87 153.93 41.57 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.336 -0.616 . . . . 74.13 109.336 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.28 163.81 20.47 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.222 0.609 . . . . 72.32 110.411 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.6 mm -67.18 -32.97 60.04 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-N 115.015 -0.993 . . . . 60.44 110.699 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -32.79 63.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.769 -1.105 . . . . 74.31 110.327 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.52 -39.0 77.79 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.003 0.921 . . . . 65.53 110.783 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 47.4 t -65.39 -51.16 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.48 0.712 . . . . 64.13 109.881 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 38' ' ' PRO . 45.8 pttt -67.49 -33.7 75.63 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.535 -0.757 . . . . 72.21 110.441 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.09 78.09 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.012 0.525 . . . . 62.15 111.931 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 18.9 ptmt -79.99 -32.83 39.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.506 0.322 . . . . 73.33 110.958 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 36' ' ' ILE . 26.4 pt -72.38 -33.1 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.899 -0.408 . . . . 74.31 109.899 172.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -63.17 -42.76 99.44 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.979 0.512 . . . . 75.2 111.338 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.95 -50.86 53.41 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.79 0.836 . . . . 73.24 110.9 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -78.58 -62.19 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.115 -0.948 . . . . 74.53 111.039 -175.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.14 -13.73 32.45 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.244 0.461 . . . . 61.15 112.244 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.89 31.76 52.22 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 112.119 -0.392 . . . . 72.01 112.119 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 30' ' ' ILE . 96.5 mt -84.42 108.23 13.85 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.143 0.977 . . . . 74.41 109.509 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 73.9 Cg_endo -74.21 115.09 4.2 Favored 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 121.876 1.717 . . . . 73.35 110.537 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 25.4 Cg_endo -60.17 -44.01 31.75 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.691 2.927 . . . . 63.21 115.209 -165.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -85.84 -27.6 24.99 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.85 -0.614 . . . . 65.54 111.154 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . 8.1 mm-40 -75.38 -28.66 59.59 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.21 1.004 . . . . 62.33 110.878 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -125.78 93.66 3.9 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.115 -1.069 . . . . 74.44 108.115 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 42' ' ' ARG . 11.4 ptm180 -76.39 128.84 35.64 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.366 1.466 . . . . 74.23 111.059 -171.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.659 ' HB3' HD11 ' A' ' 67' ' ' LEU . 12.6 mt -97.01 139.47 32.97 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.883 0.873 . . . . 73.51 110.531 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 49' ' ' GLN . 75.1 mt -132.66 118.96 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 109.236 -0.653 . . . . 74.15 109.236 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.692 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.5 t80 -108.11 118.59 37.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.41 108.855 -171.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.81 17.1 4.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.04 0.936 . . . . 52.04 112.694 174.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.508 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.65 26.1 14.01 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 114.27 0.468 . . . . 61.51 114.27 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -141.04 137.61 33.06 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 117.23 0.515 . . . . 72.12 111.286 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 44' ' ' ILE . 76.6 mt-30 -75.1 139.8 43.02 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.878 0.871 . . . . 65.34 110.129 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.879 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.7 mm? -92.75 123.96 36.4 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.991 0.916 . . . . 41.12 111.514 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.65 128.39 38.49 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.079 0.952 . . . . 74.2 110.21 169.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.06 -41.7 60.08 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.565 1.546 . . . . 74.34 113.018 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.66 -12.14 66.73 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 114.518 -1.219 . . . . 75.34 114.532 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.4 163.57 14.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 75.22 109.65 -175.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.2 p -95.78 173.93 7.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.75 0.42 . . . . 72.35 110.278 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.43 -42.92 91.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.292 -0.633 . . . . 61.02 109.292 173.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.4 t -65.53 -25.77 67.59 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 53.12 111.905 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.52 -38.55 69.37 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.829 0.852 . . . . 65.15 111.145 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 3.5 m-85 -99.05 -6.12 29.08 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.661 0.784 . . . . 74.23 109.692 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.65 63.48 1.67 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.729 1.212 . . . . 75.12 110.654 -172.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.8 mp -67.75 99.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 108.636 -0.875 . . . . 72.35 108.636 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.0 -172.89 3.3 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.276 -0.875 . . . . 61.14 109.132 170.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.7 ttpp -93.38 150.56 20.37 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.8 -0.563 . . . . 73.55 110.968 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 61.94 21.19 12.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.885 1.674 . . . . 71.3 111.855 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -71.38 151.34 44.18 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.19 0.596 . . . . 50.21 111.417 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.38 132.06 54.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.412 0.625 . . . . 71.32 111.533 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' ' 43' ' ' LEU . 59.2 tp -113.3 135.93 53.31 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.583 1.553 . . . . 75.2 107.706 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.5 tp -98.39 137.46 25.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 109.123 -0.695 . . . . 53.44 109.123 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 HG22 ' B' ' 107' ' ' THR . 11.2 mp -107.48 111.0 23.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.378 -0.828 . . . . 72.42 109.11 174.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 mt -101.61 125.85 48.33 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.237 -1.023 . . . . 71.5 108.237 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' HG ' HG13 ' B' ' 108' ' ' VAL . 48.7 mt -70.9 169.3 15.06 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 119.008 0.822 . . . . 70.41 111.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -38.42 110.33 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.206 1.402 . . . . 72.12 113.063 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' C' ' 760' ' ' ALA . 31.4 tp -103.07 -65.04 1.02 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.018 0.927 . . . . 74.33 109.211 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.256 1.42 0 CA-C-N 114.515 -1.221 . . . . 63.24 107.97 -172.433 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 CA-C-O 120.261 -0.188 . . . . 62.3 113.072 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.522 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -102.71 145.48 29.63 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.906 0.482 . . . . 62.41 109.777 -175.091 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 12.5 mp0 -104.81 128.64 53.04 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.049 -0.723 . . . . 75.42 109.049 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.1 pt -119.22 167.35 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.08 0.552 . . . . 73.54 110.935 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.0 m-85 -116.06 125.56 52.59 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.124 0.97 . . . . 73.51 108.59 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.557 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -111.64 115.18 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.584 0.629 . . . . 73.33 109.46 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 68' ' ' ILE . 8.5 t70 -90.3 103.67 16.32 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.214 -0.662 . . . . 61.11 109.214 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.712 HG22 HD22 ' A' ' 69' ' ' LEU . 61.1 p -92.62 135.97 33.63 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 125.138 1.375 . . . . 75.13 112.639 -171.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 71' ' ' LEU . 2.4 p -112.34 124.56 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.352 1.061 . . . . 41.31 109.238 163.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -138.3 101.5 4.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.973 0.909 . . . . 75.33 109.0 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -106.91 134.64 49.75 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.852 0.861 . . . . 70.45 109.057 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -144.26 138.8 28.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.223 1.009 . . . . 73.11 109.392 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -101.77 118.98 38.04 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.542 0.737 . . . . 73.23 109.238 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 20.3 mt -94.43 158.57 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 108.606 -0.887 . . . . 73.01 108.606 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.7 m -131.28 122.27 26.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.16 -0.682 . . . . 71.01 109.16 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.97 170.33 14.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.42 -0.955 . . . . 64.31 108.42 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 40.1 tt0 -117.92 144.73 45.22 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.738 -0.838 . . . . 74.12 108.738 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.2 167.1 20.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 123.361 0.665 . . . . 74.54 109.333 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -106.63 150.8 40.07 Favored Pre-proline 0 N--CA 1.47 0.569 0 N-CA-C 109.308 -0.627 . . . . 71.24 109.308 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -66.13 -28.4 48.68 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.467 2.111 . . . . 71.44 111.462 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.9 m -80.96 -15.29 56.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.184 -0.916 . . . . 75.35 112.073 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.0 159.73 27.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.931 0.396 . . . . 75.12 110.881 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -85.21 163.15 18.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.386 -0.824 . . . . 73.24 110.527 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 45.8 mm -68.43 -28.56 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.397 -0.82 . . . . 71.01 110.587 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.42 66.01 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.134 0.574 . . . . 71.32 111.696 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.4 t-20 -64.6 -54.75 27.03 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.651 0.781 . . . . 45.2 109.377 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.01 -40.33 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.737 0.815 . . . . 73.4 110.59 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' B' ' 138' ' ' PRO . 20.4 ttmt -54.53 -55.09 32.81 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.686 -1.143 . . . . 73.54 110.495 174.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.21 71.09 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.357 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 29.1 mmtp -65.59 -57.87 7.12 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.981 -0.533 . . . . 64.13 110.904 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.6 pt -60.37 -35.35 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 CA-C-O 121.268 0.556 . . . . 72.34 111.132 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 8.8 tt0 -72.3 -28.51 63.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.696 1.199 . . . . 63.0 111.559 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.79 -48.94 12.75 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.804 0.442 . . . . 63.43 110.322 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 75.1 mmtt -60.29 -61.51 2.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.159 -0.928 . . . . 72.41 111.514 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 134' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' B' ' 136' ' ' ILE . 29.7 mt-10 -117.45 6.88 12.63 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.079 0.399 . . . . 73.32 112.079 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 67.55 25.97 73.77 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-O 119.467 -0.629 . . . . 42.33 112.523 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.476 HD12 ' HB ' ' B' ' 130' ' ' ILE . 55.5 mt -68.29 106.34 1.31 Allowed Pre-proline 0 C--N 1.361 1.069 0 N-CA-C 108.843 -0.799 . . . . 71.3 108.843 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 136' ' ' ILE . 1.1 Cg_endo -82.19 121.81 3.59 Favored 'Trans proline' 0 C--N 1.368 1.572 0 C-N-CA 122.418 2.079 . . . . 70.14 110.146 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.434 ' HB3' ' HG3' ' B' ' 127' ' ' LYS . 34.5 Cg_endo -59.22 -39.37 79.12 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.809 2.339 . . . . 73.34 112.448 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.85 -29.49 69.41 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.453 -1.249 . . . . 74.44 111.415 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -95.19 -20.56 19.13 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.671 0.789 . . . . 72.14 110.81 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -153.21 97.57 2.18 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.934 -0.765 . . . . 75.23 108.934 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.36 144.17 28.2 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.14 0.576 . . . . 74.3 110.278 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' B' ' 169' ' ' LEU . 3.2 mp -83.48 146.58 28.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.777 0.431 . . . . 74.25 110.262 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -125.02 144.31 50.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.883 0.873 . . . . 63.21 109.599 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' B' ' 150' ' ' LEU . 11.3 t80 -141.46 104.51 4.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.663 1.185 . . . . 54.5 108.561 -176.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 55.81 27.63 11.17 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.365 1.066 . . . . 60.32 112.052 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.38 17.66 45.22 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 116.422 -0.354 . . . . 60.1 113.484 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -133.27 133.68 42.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.215 0.606 . . . . 73.32 110.832 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.85 135.18 38.87 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.413 0.685 . . . . 71.35 109.388 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.2 mm? -81.02 105.57 12.34 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.423 -0.954 . . . . 75.22 108.423 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.681 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 32.9 mt-10 -75.68 128.06 34.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.835 -1.172 . . . . 74.15 107.835 174.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.8 p-10 -65.29 -25.34 67.59 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.817 0.673 . . . . 75.2 112.817 -169.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -73.62 -10.58 79.86 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.35 -0.841 . . . . 51.31 113.933 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.681 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 21.8 mmm180 -85.74 177.81 7.55 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.366 0.583 . . . . 72.12 109.94 -177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' B' ' 158' ' ' ASP . 26.1 m -110.97 158.1 19.16 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.728 0.811 . . . . 73.21 109.375 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.409 HD22 HD13 ' B' ' 123' ' ' ILE . 4.0 mm? -63.3 -46.47 86.57 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.959 0.409 . . . . 60.21 110.186 176.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.5 t -64.24 -27.61 69.17 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.083 -0.508 . . . . 75.55 111.822 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 158' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' B' ' 155' ' ' THR . 15.6 t70 -58.58 -31.86 68.42 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.602 0.761 . . . . 65.53 111.36 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.4 ' HE2' ' HB2' ' B' ' 154' ' ' ARG . 89.0 m-85 -96.79 -6.92 35.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.131 0.572 . . . . 65.23 111.396 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.68 57.06 5.02 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.046 0.939 . . . . 72.52 109.353 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 6.2 mm -70.41 126.6 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.576 -1.193 . . . . 73.44 110.083 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -94.81 158.27 15.57 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 121.32 0.581 . . . . 73.1 110.519 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.48 136.29 56.91 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 116.019 -0.537 . . . . 72.11 109.625 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 67.88 19.85 9.41 Favored 'General case' 0 CA--C 1.553 1.088 0 O-C-N 124.884 1.365 . . . . 72.15 111.572 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 13.7 t -60.69 129.02 39.45 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 123.179 0.592 . . . . 64.44 111.79 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.95 41.73 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.106 0.563 . . . . 61.43 111.497 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.32 128.77 38.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.534 1.134 . . . . 74.13 108.159 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.417 HG22 ' HB2' ' A' ' 6' ' ' ASP . 29.5 pt -101.39 119.04 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-O 121.517 0.675 . . . . 64.11 110.326 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.66 HD11 ' HB ' ' A' ' 5' ' ' VAL . 5.7 mp -77.07 112.6 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.967 0.507 . . . . 72.03 110.221 176.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.3 156.97 16.1 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.56 -0.904 . . . . 72.53 108.56 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 11' ' ' LYS . 6.8 mp -67.53 163.33 21.35 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.759 -0.46 . . . . 73.12 109.759 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.562 1.438 0 N-CA-C 113.849 1.055 . . . . 72.35 113.849 -172.8 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.61 0.596 . . . . 72.43 112.61 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.32 -60.0 4.01 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.033 0.833 . . . . 43.33 110.693 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 11.5 pt20 -55.39 -45.3 76.61 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 124.346 1.029 . . . . 74.42 110.162 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 43.3 mtpt -61.47 -56.23 22.39 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 124.264 0.977 . . . . 64.11 111.049 -172.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.11 -45.63 68.37 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.411 1.069 . . . . 64.4 110.857 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.91 -30.77 68.27 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.092 0.87 . . . . 64.23 111.626 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 750' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' C' ' 786' ' ' ALA . 72.8 mt-10 -69.59 -46.73 65.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.957 0.903 . . . . 74.34 109.046 177.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 17.0 mt -69.83 -33.39 72.24 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.033 0.833 . . . . 63.25 110.38 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.43 -37.34 74.38 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.472 -0.936 . . . . 74.2 108.472 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.73 -44.37 97.04 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.806 0.691 . . . . 70.25 110.351 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.602 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 20.9 m-85 -61.35 -37.56 83.77 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 74.53 110.628 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.514 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 36.7 t-105 -75.42 -25.83 57.85 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 114.743 -1.117 . . . . 63.34 110.563 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 90.8 m -68.03 -36.32 79.73 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.073 -0.714 . . . . 44.23 109.073 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.602 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 47.1 m-85 -62.13 -66.33 0.55 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 123.582 0.552 . . . . 73.34 109.781 171.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.439 HD11 HD11 ' C' ' 777' ' ' LEU . 37.8 mt -66.18 -33.67 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 O-C-N 124.173 0.921 . . . . 34.31 112.147 -166.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.01 -58.65 5.04 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.244 -0.65 . . . . 74.13 109.244 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 73' ' ' LEU . . . -64.37 -27.81 69.27 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.672 0.789 . . . . 74.4 112.049 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.468 ' SD ' HG22 ' C' ' 773' ' ' ILE . 26.1 ttt -66.8 -58.85 4.23 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 114.37 -1.286 . . . . 72.34 108.207 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 3.5 mm? -71.41 -14.72 62.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 113.551 0.945 . . . . 54.13 113.551 -178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 69.2 m -61.51 -25.75 67.47 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.509 0.723 . . . . 71.24 111.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -130.05 -46.67 1.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.56 0.744 . . . . 71.43 109.798 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.565 HD23 HD23 ' C' ' 768' ' ' LEU . 8.4 tp -87.63 57.77 4.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.58 1.552 . . . . 51.23 108.454 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.82 59.08 3.02 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.329 1.051 . . . . 55.21 113.469 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 16.0 m 173.9 105.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.937 1.695 . . . . 74.11 108.665 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.595 HD11 HD21 ' C' ' 762' ' ' LEU . 1.7 pp -163.86 143.94 8.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.854 0.462 . . . . 54.32 111.252 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.4 m -65.47 152.69 43.36 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 123.115 0.566 . . . . 50.05 110.472 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.75 -39.25 65.18 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.863 0.727 . . . . 70.23 109.126 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.31 -30.66 68.51 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.628 0.771 . . . . 73.14 112.833 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -69.63 -57.31 5.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.578 0.351 . . . . 62.23 110.335 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.468 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.7 pp -67.86 -24.15 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.779 -0.646 . . . . 70.13 111.053 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' C' ' 795' ' ' LEU . 21.5 t80 -66.21 -49.13 68.34 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.986 -0.746 . . . . 73.52 108.986 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.81 -40.5 92.94 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.156 0.91 . . . . 71.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -52.7 43.04 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.727 0.642 . . . . 74.42 111.452 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.543 ' HB2' HD11 ' C' ' 795' ' ' LEU . 8.4 mt -57.84 -40.12 79.31 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 123.019 0.199 . . . . 72.51 110.495 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.454 ' HA ' HG12 ' C' ' 781' ' ' VAL . 38.5 ttt-85 -69.96 -36.68 75.42 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.95 0.781 . . . . 74.34 111.093 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.5 -55.85 27.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.338 0.655 . . . . 70.15 109.583 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -78.06 -9.29 59.07 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.889 -0.596 . . . . 70.41 112.487 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 790' ' ' ILE . 0.5 OUTLIER -87.57 -36.25 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 110.196 -0.298 . . . . 72.41 110.196 173.227 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.71 -31.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 119.688 -0.196 . . . . 72.4 111.373 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 15.0 p -63.41 -29.1 70.45 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.898 0.38 . . . . 74.22 111.829 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -120.76 -172.85 14.69 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.5 -0.773 . . . . 74.1 111.831 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -85.04 15.05 2.3 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.194 2.596 . . . . 62.1 113.275 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.453 ' O ' HG22 ' C' ' 781' ' ' VAL . . . -49.96 106.08 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.47 1.108 . . . . 71.44 112.219 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 787' ' ' LEU . . . . . 0.472 HD22 HG22 ' C' ' 790' ' ' ILE . 5.7 mp 55.3 13.64 0.92 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.356 1.462 . . . . 43.34 113.831 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.47 36.98 28.23 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.642 0.777 . . . . 72.53 111.11 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 75.46 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.551 1.94 . . . . 74.13 111.481 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.521 HG12 HG11 ' C' ' 781' ' ' VAL . 6.0 pt -71.51 -171.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.062 1.345 . . . . 74.15 111.884 175.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -139.33 172.07 13.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.346 1.058 . . . . 73.33 109.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -61.12 2.17 Favored 'General case' 0 C--O 1.206 -1.213 0 C-N-CA 125.037 1.335 . . . . 62.15 110.464 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -56.05 -32.91 64.48 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.934 0.771 . . . . 55.02 111.474 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.87 -52.27 26.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.627 0.771 . . . . 62.44 110.492 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' C' ' 777' ' ' LEU . 1.6 tt -74.21 -52.06 13.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 122.919 0.488 . . . . 63.34 110.168 -174.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -52.67 -47.05 67.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.855 0.862 . . . . 60.02 111.371 170.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.64 -27.68 71.36 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.775 0.672 . . . . 54.03 113.737 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 24.8 t80 -66.75 -50.99 60.95 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.595 0.758 . . . . 55.25 109.256 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.414 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.2 mm? -59.6 -44.67 93.31 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.986 0.804 . . . . 63.14 110.939 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 800' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 0.4 OUTLIER -56.24 -49.06 75.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.533 1.133 . . . . 73.51 110.261 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 801' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.79 -57.55 11.56 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.247 0.967 . . . . 73.21 108.815 175.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -47.56 -43.52 25.3 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.461 0.912 . . . . 64.52 113.461 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 799' ' ' LEU . 95.3 t -66.6 -43.98 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 121.433 0.635 . . . . 72.3 110.467 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 804' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 11.2 mpt_? -74.5 -13.09 60.64 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.312 -0.858 . . . . 73.24 112.157 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.54 -9.09 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.192 0.997 . . . . 71.24 110.42 171.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.74 19.24 10.75 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.109 1.364 . . . . 64.25 111.455 -175.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -5.45 56.94 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.828 1.251 . . . . 74.1 111.01 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.53 142.98 50.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.759 0.824 . . . . 71.13 108.812 169.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.4 t -105.64 123.51 60.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 C-N-CA 124.356 1.062 . . . . 74.12 108.201 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.5 107.78 19.57 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.348 -1.353 . . . . 65.22 107.348 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.633 ' HB3' HG13 ' C' ' 814' ' ' VAL . 22.8 t -80.7 -154.67 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 108.754 -0.832 . . . . 75.25 108.754 171.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.22 76.11 0.71 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.075 0.852 . . . . 73.23 111.56 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.84 77.8 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.678 -0.692 . . . . 52.22 112.537 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.7 p -144.65 135.02 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.899 -0.778 . . . . 75.24 108.899 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.82 148.73 22.01 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.4 0.68 . . . . 72.5 112.703 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' C' ' 762' ' ' LEU . 15.6 ptt180 -161.76 150.22 15.36 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.266 -1.334 . . . . 73.42 109.696 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 0.7 OUTLIER -74.65 141.92 76.65 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 111.677 0.251 . . . . 75.45 111.677 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo . . . . . 0 C--N 1.378 2.114 0 C-N-CA 122.828 2.352 . . . . 52.1 110.478 166.047 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.87 -0.492 . . . . 62.31 111.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -100.36 147.13 26.15 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.873 -0.788 . . . . 50.03 108.873 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 17.3 mp0 -92.76 160.31 15.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.997 -0.547 . . . . 52.43 110.351 -171.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 115' ' ' LEU . 13.9 pt -139.99 158.47 26.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 123.983 0.913 . . . . 51.13 108.682 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 22.0 m-85 -119.53 112.68 19.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.577 -1.268 . . . . 72.51 107.577 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.691 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 98.5 t -93.93 91.81 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.476 -1.305 . . . . 54.3 107.476 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.11 95.93 8.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.276 -0.875 . . . . 75.01 110.508 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -91.65 139.42 30.71 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.697 0.399 . . . . 72.31 110.036 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.421 ' HB ' ' HE3' ' B' ' 110' ' ' TRP . 7.7 p -129.72 118.65 45.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.91 -0.774 . . . . 74.23 108.91 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 89.7 mt-30 -103.23 81.99 2.01 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.319 -0.993 . . . . 73.13 108.319 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.605 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 70.3 t-105 -98.56 106.1 18.33 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 107.698 -1.223 . . . . 73.3 107.698 173.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -161.38 139.82 9.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 123.79 0.681 . . . . 72.24 109.711 -171.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 21.1 m -85.3 122.76 29.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.561 0.745 . . . . 74.24 109.678 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.69 151.24 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.577 -0.898 . . . . 74.42 108.577 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.438 HG22 ' CD1' ' B' ' 104' ' ' PHE . 20.7 p -107.82 134.63 50.49 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.844 0.458 . . . . 64.22 110.569 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD21 HG13 ' B' ' 105' ' ' VAL . 1.8 pt? -149.63 172.41 15.1 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.642 0.777 . . . . 74.31 109.319 173.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 30.9 tt0 -121.34 146.8 46.48 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.689 0.396 . . . . 43.01 110.122 171.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 12.1 m -130.78 173.74 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 124.575 1.15 . . . . 50.13 110.955 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.782 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 35.0 mm-40 -110.52 154.89 42.87 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.805 0.842 . . . . 53.4 109.034 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.34 -38.76 19.32 Favored 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 122.159 1.906 . . . . 64.34 112.385 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -89.3 -0.2 57.28 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.85 -0.614 . . . . 64.02 111.475 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.782 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 23.0 t70 -75.76 154.21 36.48 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.541 1.136 . . . . 70.3 107.935 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -91.26 164.68 13.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.989 0.9 . . . . 64.4 111.254 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.74 HG21 ' HB3' ' A' ' 50' ' ' LEU . 22.6 mm -74.52 -19.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 CA-C-N 114.746 -1.115 . . . . 64.32 109.616 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.81 -25.35 67.19 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.817 0.847 . . . . 70.44 110.605 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 28.8 m120 -69.18 -53.35 20.5 Favored 'General case' 0 C--O 1.205 -1.271 0 N-CA-C 108.532 -0.914 . . . . 72.53 108.532 173.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 17' ' ' VAL . 20.9 t -51.12 -42.27 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.842 0.857 . . . . 73.55 110.867 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.56 -53.91 52.61 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 125.519 1.528 . . . . 73.24 110.929 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.48 63.17 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.943 -1.026 . . . . 65.5 111.7 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 4.4 mptp? -72.69 -54.51 8.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.569 1.148 . . . . 74.54 109.243 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.668 ' HB ' HD12 ' A' ' 36' ' ' ILE . 25.9 pt -68.34 -25.95 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 123.254 0.346 . . . . 71.4 110.869 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.69 -49.61 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.036 0.534 . . . . 72.41 111.087 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.23 -43.07 99.47 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.967 0.889 . . . . 75.14 110.829 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 3.6 mmmp? -82.37 -73.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.763 -1.562 . . . . 64.41 110.926 -174.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.502 ' HB2' HG13 ' A' ' 36' ' ' ILE . 26.6 mm-40 -88.13 -9.57 52.77 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.874 0.47 . . . . 73.42 111.283 -167.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 28.35 54.84 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 116.309 -0.405 . . . . 74.31 113.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.668 HD12 ' HB ' ' A' ' 30' ' ' ILE . 54.6 mt -80.58 113.51 40.28 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.519 0.728 . . . . 72.45 110.053 -176.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 28.1 Cg_endo -62.12 119.4 6.49 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.926 2.417 . . . . 64.31 112.352 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -53.88 -44.97 44.48 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 124.085 3.19 . . . . 74.3 114.027 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.53 -33.66 74.2 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.457 -0.792 . . . . 72.22 111.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 21.6 mt-30 -110.71 18.98 19.1 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.741 0.816 . . . . 74.14 111.927 -169.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.484 HE21 HG22 ' A' ' 36' ' ' ILE . 2.4 pt20 -114.53 150.86 34.27 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.613 -0.514 . . . . 73.15 109.613 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 35.4 mtp85 -132.79 101.03 5.11 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.116 -1.439 . . . . 75.23 107.116 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 21.4 mt -85.56 121.09 27.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 109.334 -0.617 . . . . 64.25 109.334 -172.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mt -129.04 130.7 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 118.207 0.458 . . . . 73.42 111.165 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -111.51 99.94 8.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.941 1.296 . . . . 73.24 109.034 178.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.51 31.56 15.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 123.971 0.795 . . . . 72.24 112.546 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.99 17.06 33.54 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.239 0.855 . . . . 61.32 115.239 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -117.37 141.12 48.71 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.13 0.965 . . . . 73.34 111.271 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 120.67 28.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.902 0.881 . . . . 72.41 110.17 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.74 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -86.96 106.34 17.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.363 0.665 . . . . 74.51 110.623 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.6 118.26 9.26 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.683 -0.858 . . . . 53.31 108.683 162.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 10.2 p-10 -59.78 -33.88 72.29 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.14 0.576 . . . . 65.23 111.767 -175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.1 22.21 16.23 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-O 119.901 -0.388 . . . . 74.31 113.604 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 23' ' ' ILE . 59.3 ttt180 -115.33 171.12 7.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.096 -1.075 . . . . 70.34 108.096 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -100.39 159.24 15.29 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.431 1.014 . . . . 50.21 111.189 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 61' ' ' ILE . 3.7 mm? -61.15 -43.99 98.02 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.011 0.82 . . . . 71.13 109.684 175.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -67.51 -25.91 66.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.881 0.697 . . . . 75.31 112.881 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.75 -18.28 64.19 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.727 0.299 . . . . 72.41 110.436 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.24 -9.43 19.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.022 0.529 . . . . 64.31 111.843 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 59.47 64.49 1.33 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.239 1.016 . . . . 72.01 110.667 -172.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 HD12 ' A' ' 56' ' ' LEU . 1.7 mp -67.44 109.79 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.732 -0.84 . . . . 61.14 108.732 170.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -79.83 164.26 23.75 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.754 -0.832 . . . . 74.44 108.754 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -71.81 143.9 49.34 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 122.253 -0.279 . . . . 70.3 110.289 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.77 29.41 18.01 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.673 1.189 . . . . 74.53 111.907 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -80.72 143.41 32.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.15 0.58 . . . . 74.32 111.077 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.1 106.66 18.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.335 0.654 . . . . 42.15 111.647 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.7 tt -96.77 126.47 41.95 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 106.803 -1.554 . . . . 64.01 106.803 172.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 tt -99.2 131.46 46.43 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 CA-C-N 118.871 0.759 . . . . 73.54 109.623 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.627 HD12 ' HB ' ' B' ' 107' ' ' THR . 62.2 mt -99.73 107.7 19.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.633 -1.167 . . . . 72.14 108.914 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 5.2 mp -94.89 114.63 26.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.634 -1.247 . . . . 74.21 107.634 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.37 168.33 19.42 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 109.385 -0.598 . . . . 74.44 109.385 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -32.4 97.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.093 1.757 . . . . 71.22 113.581 -179.183 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.4 tp -91.87 -90.84 0.17 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.557 -1.275 . . . . 74.22 107.557 171.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.597 -1.26 . . . . 73.12 107.597 175.03 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 111.612 -0.595 . . . . 74.23 111.612 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.47 46.05 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.536 0.735 . . . . 64.31 109.768 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -84.91 164.18 18.52 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.415 -0.811 . . . . 73.44 110.517 -173.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -148.72 156.37 8.17 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 C-N-CA 123.997 0.919 . . . . 60.41 109.858 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.438 ' CD1' HG22 ' A' ' 14' ' ' THR . 18.4 m-30 -116.36 105.79 12.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.413 -1.267 . . . . 72.01 108.693 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 67' ' ' LEU . 27.1 m -99.8 107.99 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 121.877 0.846 . . . . 71.3 111.013 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 46.3 t0 -84.99 100.34 11.59 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.86 0.864 . . . . 61.24 109.917 -173.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.627 ' HB ' HD12 ' A' ' 69' ' ' LEU . 9.6 t -103.1 146.33 28.55 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.506 0.722 . . . . 74.22 112.266 -171.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.605 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.2 p -116.92 128.29 74.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.707 -0.679 . . . . 64.23 110.459 161.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -117.97 93.52 4.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.164 -0.925 . . . . 73.34 109.319 167.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' TRP . . . . . 0.421 ' HE3' ' HB ' ' A' ' 8' ' ' VAL . 40.3 t-105 -86.06 129.31 34.88 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.378 -0.971 . . . . 70.11 108.378 171.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -144.48 133.7 22.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.651 1.181 . . . . 54.21 108.774 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -97.97 116.19 29.68 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.579 0.751 . . . . 72.25 109.079 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.691 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 31.1 mt -91.61 154.63 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.96 -1.126 . . . . 52.01 107.96 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.0 p -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.542 -0.911 . . . . 60.01 108.542 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 3' ' ' ILE . 3.5 tt -139.87 148.01 41.46 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.477 -1.675 . . . . 63.31 106.477 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.5 tt0 -117.65 125.6 51.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.118 -1.067 . . . . 70.42 108.118 169.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.6 p -132.21 170.94 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 123.109 0.564 . . . . 72.21 109.622 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' B' ' 121' ' ' ASP . 41.6 mt-10 -120.18 147.34 44.58 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.449 0.7 . . . . 75.45 109.606 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.49 -36.41 97.61 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.107 2.538 . . . . 72.43 113.458 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.5 m -79.87 -10.3 59.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.952 -0.567 . . . . 75.41 112.401 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' B' ' 118' ' ' GLU . 3.8 m-20 -81.29 158.63 24.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.361 0.265 . . . . 75.03 110.467 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -87.65 171.54 10.38 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.154 0.982 . . . . 64.42 111.194 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 33.6 mm -78.26 -23.1 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.507 -0.77 . . . . 64.04 110.16 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.07 -25.57 65.49 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.705 0.802 . . . . 73.1 111.619 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 22.7 m120 -61.33 -56.58 18.87 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.824 0.703 . . . . 62.1 109.552 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.07 -42.19 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.976 0.91 . . . . 62.12 110.657 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -56.44 -53.08 61.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.339 1.056 . . . . 70.32 110.83 174.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.43 74.1 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.393 -0.821 . . . . 32.25 111.338 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.7 mmtp -75.98 -40.8 53.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.04 0.536 . . . . 73.42 111.56 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 31.6 pt -72.36 -29.58 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.157 0.435 . . . . 72.41 110.049 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -71.24 -38.45 71.96 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.326 0.65 . . . . 63.35 110.864 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.67 -52.15 19.35 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.516 -0.766 . . . . 51.54 110.585 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -81.03 -56.01 4.39 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.839 -1.073 . . . . 63.31 111.214 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.64 -11.2 29.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.852 0.461 . . . . 71.22 110.969 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.31 28.96 67.0 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 123.118 0.262 . . . . 72.34 113.181 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.466 HD13 HD21 ' B' ' 169' ' ' LEU . 78.9 mt -87.75 118.15 69.38 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.797 0.839 . . . . 61.03 110.493 -176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 27.2 Cg_exo -64.9 131.16 28.05 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.49 2.127 . . . . 64.13 111.414 172.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.1 Cg_endo -45.07 -43.72 15.65 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.265 3.31 . . . . 75.12 113.945 173.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.19 -33.01 74.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 114.4 -1.273 . . . . 72.52 111.617 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.769 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 66.0 mt-30 -91.88 -6.34 51.68 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.358 0.663 . . . . 72.03 112.317 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 136.42 33.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.62 1.168 . . . . 75.33 110.695 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 172' ' ' THR . 0.4 OUTLIER -134.05 87.24 2.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.041 0.936 . . . . 74.0 108.935 165.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 5' ' ' VAL . 10.1 mt -81.01 105.13 12.0 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.992 -0.549 . . . . 73.23 109.56 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.61 139.01 35.9 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.683 -0.858 . . . . 63.11 108.683 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.501 ' HB2' HD21 ' B' ' 150' ' ' LEU . 29.9 t80 -131.77 102.34 5.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.425 -0.954 . . . . 72.05 108.425 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 51.76 37.98 21.82 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.082 0.953 . . . . 64.22 111.976 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.28 -16.1 61.69 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-O 119.009 -0.884 . . . . 64.11 114.581 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.3 OUTLIER -107.18 121.99 45.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 118.649 1.225 . . . . 73.1 110.218 178.154 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -75.15 139.27 42.59 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.548 -0.538 . . . . 71.53 109.548 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.625 HD23 ' HB3' ' B' ' 143' ' ' LEU . 2.5 mm? -77.25 114.71 16.35 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.662 0.785 . . . . 65.14 109.116 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 2.7 tm-20 -84.5 130.39 34.76 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.69 -0.856 . . . . 75.51 108.69 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -43.45 -56.95 3.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.922 1.689 . . . . 61.4 113.826 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.04 16.05 53.22 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.016 -0.538 . . . . 42.03 114.092 -174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 6.8 mtt180 -105.88 164.2 12.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.213 1.005 . . . . 70.41 108.752 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 36.9 p -96.36 165.64 12.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.689 0.757 . . . . 74.12 111.53 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.12 -37.32 78.28 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.901 -1.499 . . . . 61.15 109.745 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.3 t -65.07 -37.53 87.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.49 0.716 . . . . 63.35 111.088 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.39 -27.72 68.73 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.94 0.775 . . . . 74.21 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -100.24 -2.98 32.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.611 0.764 . . . . 62.43 111.566 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.93 61.27 3.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.51 1.124 . . . . 72.23 110.23 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.0 116.63 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.125 -0.943 . . . . 73.0 109.543 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -86.16 156.06 20.5 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 121.283 0.564 . . . . 65.22 110.189 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 19.6 ptmt -60.66 139.69 57.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.739 -0.837 . . . . 65.03 108.739 170.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 164' ' ' GLU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 8.7 pt-20 59.7 23.21 12.04 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.065 1.746 . . . . 64.12 112.575 -175.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 60.6 p -58.38 141.25 51.91 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 111.586 0.217 . . . . 63.3 111.586 170.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.59 118.49 36.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.707 0.403 . . . . 51.2 109.937 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.509 HD23 HD21 ' B' ' 150' ' ' LEU . 0.5 OUTLIER -122.68 126.83 48.37 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.481 -1.674 . . . . 73.32 106.481 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 17.1 pt -91.23 132.8 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.778 -0.823 . . . . 65.34 108.778 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.603 HD13 ' HG ' ' B' ' 143' ' ' LEU . 37.4 tp -105.83 97.43 7.26 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.669 -1.234 . . . . 75.01 107.669 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 16.0 tp -94.93 155.44 16.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.171 -1.377 . . . . 54.33 108.82 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.67 156.27 39.22 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 108.056 -1.09 . . . . 73.54 108.056 171.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.769 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 12.5 t . . . . . 0 CA--C 1.566 1.578 0 CA-C-O 122.569 1.176 . . . . 75.32 113.239 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 119.966 -0.064 . . . . 61.03 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 745' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 0.4 OUTLIER -49.74 -63.82 0.99 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.806 1.317 . . . . 73.15 112.061 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.508 ' HG3' ' HG3' ' C' ' 747' ' ' LYS . 8.4 pt20 -54.91 -50.05 69.73 Favored 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.685 1.241 . . . . 73.41 110.778 -173.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' C' ' 746' ' ' GLN . 93.4 mttt -63.33 -47.06 83.79 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.134 0.573 . . . . 63.33 111.13 -173.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -50.77 -56.06 13.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.49 1.119 . . . . 73.13 111.495 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 749' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.0 pt-20 -76.16 -32.1 58.89 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.819 -0.628 . . . . 71.13 111.233 -169.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.41 -52.39 47.09 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.533 -0.914 . . . . 73.44 108.533 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.39 -43.93 79.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 124.226 0.954 . . . . 65.54 110.425 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.32 -36.99 85.73 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.974 0.796 . . . . 71.52 110.589 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.82 -40.71 63.14 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.735 0.814 . . . . 72.32 110.339 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.527 ' O ' HG13 ' C' ' 758' ' ' ILE . 38.7 m-85 -59.21 -42.22 90.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.661 0.785 . . . . 64.23 109.342 171.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.478 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 18.1 t-105 -64.84 -38.37 90.75 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.397 -1.274 . . . . 72.25 110.647 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 68.5 m -61.03 -36.56 79.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.249 0.62 . . . . 61.43 110.186 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.52 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 39.7 m-85 -59.45 -57.69 11.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.822 -0.626 . . . . 71.44 110.808 169.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.53 HD11 HD21 ' C' ' 777' ' ' LEU . 10.2 mt -65.88 -24.0 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 123.917 0.761 . . . . 75.51 111.525 -172.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -66.56 -61.68 1.86 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.153 -0.684 . . . . 75.31 109.153 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.403 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -66.82 -25.07 66.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.085 0.554 . . . . 32.03 111.449 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.753 ' SD ' HD22 ' C' ' 765' ' ' LEU . 35.0 tpp -60.77 -59.19 5.78 Favored 'General case' 0 C--O 1.197 -1.691 0 C-N-CA 124.307 1.043 . . . . 75.1 109.168 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.66 HD22 ' HA ' ' C' ' 816' ' ' ARG . 95.5 mt -77.77 -13.18 59.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.353 0.661 . . . . 60.44 112.331 -175.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.4 m -73.48 -21.58 60.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.079 0.951 . . . . 52.11 111.285 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' B' ' 108' ' ' VAL . 50.2 m-80 -121.76 -51.18 2.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.814 0.446 . . . . 73.31 109.892 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.753 HD22 ' SD ' ' C' ' 761' ' ' MET . 10.4 mp -82.94 60.03 5.2 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.501 1.12 . . . . 62.3 109.744 171.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.91 84.47 2.84 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.036 -0.984 . . . . 64.42 109.168 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 69.8 m 127.22 105.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 128.389 2.676 . . . . 70.45 108.703 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.675 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 0.4 OUTLIER -156.83 158.36 36.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 64.02 109.955 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.9 t -70.02 158.06 36.35 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 120.535 0.207 . . . . 62.44 110.796 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.07 -37.67 80.58 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.703 0.801 . . . . 74.2 109.768 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.8 -32.24 67.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.204 0.602 . . . . 73.11 112.145 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 98.3 mtt180 -69.46 -52.15 29.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.937 0.495 . . . . 75.14 110.234 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.423 HD13 HD21 ' C' ' 799' ' ' LEU . 2.8 pp -71.59 -26.02 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 116.681 -0.236 . . . . 75.14 111.399 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.07 -52.08 65.34 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 108.747 -0.834 . . . . 75.35 108.747 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -55.34 -43.85 75.37 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.448 1.093 . . . . 73.53 111.975 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 89.7 mmm -58.82 -61.74 2.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.699 -0.682 . . . . 73.0 110.578 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.532 HD22 HD21 ' C' ' 795' ' ' LEU . 10.4 mp -57.54 -30.02 64.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 115.623 -0.717 . . . . 73.13 112.111 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' C' ' 778' ' ' ARG . 8.1 tpt180 -66.6 -43.41 84.92 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.989 0.805 . . . . 75.32 109.968 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.5 ttp -58.89 -51.38 70.26 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.996 -0.742 . . . . 71.0 108.996 173.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.92 -31.36 71.67 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.688 -0.687 . . . . 72.11 112.563 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.495 HG21 ' H ' ' C' ' 790' ' ' ILE . 1.1 p -84.65 -28.8 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 122.976 0.51 . . . . 62.14 111.057 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.53 -27.97 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.703 0.401 . . . . 74.23 111.813 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 16.9 p -65.22 -25.64 67.77 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.961 0.504 . . . . 72.55 112.107 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.99 -170.22 12.84 Favored Glycine 0 C--O 1.242 0.627 0 N-CA-C 111.407 -0.677 . . . . 74.03 111.407 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -83.04 10.14 3.78 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.349 2.699 . . . . 73.14 111.905 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.07 109.16 0.23 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.736 1.614 . . . . 74.51 112.485 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 46.6 mt 58.78 9.69 1.25 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.835 1.254 . . . . 60.14 113.656 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.36 41.36 31.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.279 1.032 . . . . 61.2 111.752 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 70.59 117.16 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.778 1.631 . . . . 74.42 111.679 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.495 ' H ' HG21 ' C' ' 781' ' ' VAL . 15.7 pt -65.9 164.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.04 0.936 . . . . 72.44 111.71 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -118.73 169.19 10.05 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.711 -1.131 . . . . 75.42 108.858 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.38 -40.62 95.01 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.988 0.915 . . . . 74.24 111.697 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.41 -38.76 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.737 0.415 . . . . 71.11 110.787 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.71 -45.29 71.98 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.89 0.876 . . . . 74.3 110.214 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.532 HD21 HD22 ' C' ' 777' ' ' LEU . 1.9 tm? -74.81 -48.6 24.42 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 114.589 -1.187 . . . . 65.23 110.076 -174.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.93 -44.63 87.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.045 0.938 . . . . 72.22 110.582 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.15 92.28 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.94 0.775 . . . . 61.14 113.35 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 13.1 t80 -62.09 -53.14 59.69 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.223 0.535 . . . . 74.45 110.67 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.3 mm? -58.77 -47.6 84.11 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.941 -1.027 . . . . 74.02 111.26 178.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -51.24 -48.44 62.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.191 1.396 . . . . 72.43 110.909 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -57.89 -53.69 55.32 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 124.282 0.989 . . . . 53.24 110.043 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -58.38 -34.69 71.0 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.782 0.66 . . . . 63.32 112.782 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 799' ' ' LEU . 92.0 t -63.71 -49.64 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 109.189 -0.671 . . . . 71.4 109.189 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -79.44 -5.75 55.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.019 -0.991 . . . . 72.25 112.927 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -94.14 8.44 41.6 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.421 1.089 . . . . 74.01 111.075 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.33 21.28 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.776 1.23 . . . . 74.21 110.829 -175.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -104.74 -26.51 12.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.031 0.932 . . . . 73.21 110.845 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 151.38 48.88 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.14 0.976 . . . . 74.31 109.901 -176.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.08 132.27 63.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.981 0 C-N-CA 124.062 0.945 . . . . 75.34 108.901 168.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.45 129.06 56.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.743 1.217 . . . . 73.35 108.37 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 60.5 p -111.46 -143.78 0.39 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.986 -1.487 . . . . 72.54 106.986 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.76 74.55 1.57 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.966 0.803 . . . . 63.42 111.415 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.27 21.2 79.27 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.875 -0.602 . . . . 24.43 112.24 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.22 131.74 63.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.788 0.835 . . . . 61.33 110.213 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -99.66 149.62 23.12 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.999 0.919 . . . . 75.24 111.848 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.66 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.17 145.43 15.03 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.519 1.137 . . . . 73.23 110.3 172.781 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.563 ' H ' ' HB3' ' C' ' 762' ' ' LEU . 0.5 OUTLIER -72.05 123.3 89.27 Favored Pre-proline 0 C--O 1.243 0.744 0 N-CA-C 108.528 -0.916 . . . . 75.04 108.528 171.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 C--N 1.376 2.024 0 C-N-CA 123.7 2.934 . . . . 70.22 114.598 -178.643 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 120.399 -0.112 . . . . 61.22 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.63 142.62 45.77 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.907 -0.775 . . . . 72.1 108.907 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -101.88 155.35 18.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.803 -1.09 . . . . 74.43 108.569 -175.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' B' ' 115' ' ' LEU . 19.0 pt -133.94 159.47 42.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.025 0 N-CA-C 109.239 -0.652 . . . . 53.34 109.239 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 18.4 m-85 -108.64 113.17 25.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.679 -1.146 . . . . 71.33 108.108 172.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 60.5 t -90.57 93.57 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 106.504 -1.665 . . . . 72.32 106.504 177.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -97.27 100.32 11.78 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.509 0.671 . . . . 74.14 109.262 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -93.73 142.47 27.32 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.926 -1.033 . . . . 53.54 110.069 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.13 127.05 45.46 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 108.297 -1.001 . . . . 61.12 108.297 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 97.7 mt-30 -109.93 83.4 1.75 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.875 -0.602 . . . . 61.22 109.398 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.75 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 55.9 t-105 -99.36 112.89 24.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.322 1.849 . . . . 62.44 107.06 173.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -160.52 147.96 15.98 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.973 0.795 . . . . 64.11 109.932 -169.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 13.9 m -103.01 121.33 42.33 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.884 -0.598 . . . . 63.31 110.085 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mm -94.36 133.12 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.217 1.007 . . . . 70.11 109.168 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 m -99.29 125.85 45.0 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.155 -0.683 . . . . 70.21 109.155 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -143.24 171.97 13.37 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.875 0.87 . . . . 52.15 108.942 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -106.92 161.52 14.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.447 0.641 . . . . 44.02 110.218 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.49 160.83 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-N 114.129 -1.396 . . . . 72.23 110.835 171.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.98 140.42 21.22 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 124.197 0.999 . . . . 65.13 110.014 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 57.4 Cg_endo -68.57 -24.6 35.61 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.718 2.279 . . . . 61.34 111.925 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -79.28 -20.24 48.53 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.851 1.261 . . . . 60.15 112.464 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.16 165.19 14.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.903 0.382 . . . . 74.15 110.282 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -73.87 154.99 39.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.547 0.739 . . . . 73.32 111.785 171.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 50' ' ' LEU . 51.4 mm -54.17 -27.84 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.137 1.375 . . . . 62.22 111.638 172.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -44.16 -39.73 4.53 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.989 1.716 . . . . 50.13 112.841 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -67.52 -45.3 76.17 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-O 119.242 -0.408 . . . . 72.35 110.684 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG21 HD11 ' A' ' 56' ' ' LEU . 57.3 t -62.58 -51.71 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.732 0.777 . . . . 64.34 109.418 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -57.83 -42.21 83.87 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 112.843 -1.981 . . . . 71.41 111.0 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.88 69.36 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.691 -0.686 . . . . 61.52 111.419 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 92.3 mttt -64.18 -52.68 57.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 70.22 110.153 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 36' ' ' ILE . 11.0 pt -70.98 -28.13 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.736 0.414 . . . . 74.3 111.3 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.06 -36.85 82.95 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.17 0.51 . . . . 74.52 111.085 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -74.56 -46.82 36.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.696 0.798 . . . . 74.42 111.124 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.7 mmtt -81.15 -57.34 3.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.158 -0.928 . . . . 52.43 110.161 -174.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.73 -6.67 45.62 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.921 0.489 . . . . 70.45 112.189 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.52 18.82 77.36 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-O 119.813 -0.437 . . . . 74.22 113.785 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.588 HD11 HG13 ' A' ' 30' ' ' ILE . 2.5 pp -76.55 119.35 77.02 Favored Pre-proline 0 CA--C 1.557 1.23 0 N-CA-C 109.163 -0.68 . . . . 61.51 109.163 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -83.91 107.53 1.32 Allowed 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.84 2.36 . . . . 70.21 110.868 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -48.87 -32.05 21.64 Favored 'Trans proline' 0 N--CA 1.514 2.69 0 C-N-CA 124.604 3.536 . . . . 71.12 114.962 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.05 -45.99 75.32 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.977 -1.01 . . . . 71.25 111.337 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 3.6 pt20 -113.27 16.73 18.99 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.26 1.024 . . . . 63.41 111.221 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 6.5 tp-100 -127.23 109.19 11.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.841 -1.17 . . . . 62.22 107.841 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.585 HH22 HG23 ' C' ' 756' ' ' THR . 0.5 OUTLIER -78.07 101.25 6.87 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.384 0.674 . . . . 74.13 109.887 178.497 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.19 116.88 17.31 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.913 0.885 . . . . 73.22 108.997 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.59 131.55 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.253 -0.647 . . . . 51.23 109.253 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.481 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -123.71 96.75 5.08 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.964 -1.124 . . . . 63.21 107.964 -177.129 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.36 33.38 23.08 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.783 0.833 . . . . 74.52 111.693 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.1 -4.7 65.36 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 114.62 0.608 . . . . 73.35 114.62 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -99.15 124.36 44.13 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.875 0.838 . . . . 64.31 110.772 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -79.5 124.11 28.18 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.138 -0.69 . . . . 63.22 109.138 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 23' ' ' ILE . 32.5 mt -85.07 119.31 25.33 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.427 0.691 . . . . 55.23 112.016 -171.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.709 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 32.9 tt0 -80.95 134.67 35.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.945 0.898 . . . . 72.13 109.174 173.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.96 -54.05 8.96 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.58 1.552 . . . . 75.12 112.374 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.04 18.2 57.82 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 114.295 -1.321 . . . . 74.3 113.579 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.709 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 3.4 tpt180 -81.16 173.22 12.75 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.172 -1.047 . . . . 74.1 108.172 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.68 151.79 26.44 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.61 -0.885 . . . . 54.54 108.61 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 61' ' ' ILE . 4.1 mm? -62.15 -46.03 90.81 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 109.863 -0.421 . . . . 75.12 109.863 176.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -61.83 -29.3 70.07 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.355 0.502 . . . . 75.41 112.355 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.34 -37.73 65.24 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.986 0.915 . . . . 73.34 111.354 173.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -92.85 -6.34 48.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.827 -0.624 . . . . 73.52 111.303 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.31 55.9 4.77 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 122.407 1.099 . . . . 64.45 109.476 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 56' ' ' LEU . 32.8 mm -70.21 95.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 113.959 -1.473 . . . . 75.45 109.078 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -79.75 166.1 22.11 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.904 -1.044 . . . . 63.4 110.331 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.7 ttmt -65.95 138.52 57.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.314 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 45.9 mt-10 63.61 25.44 14.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.057 1.343 . . . . 71.21 112.595 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -75.93 142.72 41.96 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 122.632 0.373 . . . . 64.11 110.633 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.04 110.72 21.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.426 0.69 . . . . 63.23 111.313 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.17 144.48 26.08 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.298 -1.371 . . . . 75.22 107.298 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HH2' ' A' ' 10' ' ' TRP . 8.1 tp -123.78 127.23 73.72 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 121.445 0.64 . . . . 62.13 109.642 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD21 HD12 ' A' ' 30' ' ' ILE . 42.9 mt -100.17 114.41 27.8 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.378 -0.828 . . . . 72.23 110.573 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.24 117.04 33.0 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.283 -1.377 . . . . 65.11 107.283 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.13 173.91 7.02 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 118.552 0.614 . . . . 70.24 110.481 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 27.6 m -35.21 109.32 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.421 1.088 . . . . 62.02 112.975 171.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' C' ' 760' ' ' ALA . 0.0 OUTLIER -135.59 -69.2 0.5 Allowed 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.762 -1.57 . . . . 74.12 106.762 176.581 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.524 ' HG2' HD13 ' A' ' 73' ' ' LEU . 20.3 mmt85 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.842 -1.072 . . . . 75.13 108.652 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.528 -0.229 . . . . 73.31 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.401 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -87.08 147.9 25.48 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.123 -1.066 . . . . 64.04 108.123 173.787 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.526 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 1.8 mm100 -82.01 155.53 25.12 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.525 -0.917 . . . . 72.05 108.525 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -139.79 153.55 23.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 C-N-CA 123.651 0.78 . . . . 70.0 109.954 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.98 103.05 10.54 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.099 -0.955 . . . . 70.31 108.533 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.642 HG23 HD21 ' A' ' 15' ' ' LEU . 53.5 t -99.36 108.29 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 109.913 -0.403 . . . . 70.44 109.913 -176.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 30.6 t0 -82.37 103.49 11.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.327 -0.619 . . . . 75.54 109.327 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.0 t -97.67 146.73 25.04 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.821 1.248 . . . . 52.24 110.539 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.75 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 11.7 p -136.14 126.07 40.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.088 0.471 . . . . 64.25 111.277 166.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -132.5 141.67 48.87 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.118 -0.946 . . . . 73.34 109.026 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -68.28 151.66 46.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.861 -0.792 . . . . 71.23 108.861 168.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -148.34 112.07 5.08 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.177 -0.675 . . . . 75.3 109.177 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -93.8 130.57 39.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.687 0.795 . . . . 52.12 110.428 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 28.6 mt -110.48 160.64 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.43 1.092 . . . . 72.35 108.145 173.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 19.6 p -123.89 127.0 47.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 60.51 109.324 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 HG23 ' B' ' 126' ' ' VAL . 4.3 tt -133.59 150.96 51.62 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.798 -1.556 . . . . 74.12 106.798 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.6 tt0 -119.49 129.15 54.57 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.063 0.847 . . . . 71.03 109.144 168.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -132.81 169.0 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.122 0.569 . . . . 73.5 109.977 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -112.93 156.58 42.48 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 108.958 -0.756 . . . . 71.52 108.958 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -63.8 -27.6 67.79 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.181 1.921 . . . . 41.04 111.296 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -80.37 -9.68 59.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 70.22 112.903 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.86 156.65 30.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.621 0.368 . . . . 73.13 110.309 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.4 p -92.83 165.06 13.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.774 0.83 . . . . 75.42 110.84 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.48 ' HA ' HG12 ' B' ' 126' ' ' VAL . 35.2 mm -73.65 -23.14 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 114.604 -1.18 . . . . 72.43 110.612 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.48 -32.58 67.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.66 0.384 . . . . 72.14 110.028 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 11.2 m120 -68.92 -53.87 18.63 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.159 -0.928 . . . . 65.43 110.328 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' B' ' 123' ' ' ILE . 14.4 p -62.89 -38.05 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.652 0.595 . . . . 63.02 111.177 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 54.4 pttt -70.07 -36.65 75.11 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 121.097 0.475 . . . . 74.12 110.297 176.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.52 61.09 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 119.338 -0.363 . . . . 61.04 111.603 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 73.1 mmtt -76.39 -46.3 27.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.035 0.534 . . . . 73.13 110.104 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.2 pt -66.4 -33.68 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 N-CA-C 109.976 -0.379 . . . . 73.11 109.976 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -66.91 -47.74 70.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.809 0.443 . . . . 52.12 111.978 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.58 -52.36 61.32 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.441 0.696 . . . . 65.3 110.88 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.41 -54.15 5.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.514 -1.221 . . . . 73.45 111.691 -172.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' GLU . . . . . 0.436 ' HG3' HD13 ' B' ' 113' ' ' ILE . 27.3 mm-40 -95.93 -15.3 22.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.512 -0.313 . . . . 74.32 111.038 -166.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.98 14.63 80.44 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.312 0.382 . . . . 43.42 112.964 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 130' ' ' ILE . 88.0 mt -70.05 124.06 89.98 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 123.919 0.888 . . . . 74.33 109.822 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.646 ' HB2' ' HB2' ' B' ' 140' ' ' GLN . 34.8 Cg_endo -63.07 112.67 1.75 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 121.634 1.556 . . . . 73.42 109.077 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.509 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 56.7 Cg_endo -65.15 -42.01 14.99 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.38 2.72 . . . . 72.33 114.137 -161.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -88.87 -32.23 17.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.545 0.738 . . . . 74.32 111.319 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.762 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 72.9 mt-30 -75.68 -19.57 59.05 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.465 0.478 . . . . 64.44 111.079 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -129.58 86.11 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.563 -1.273 . . . . 74.44 107.563 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -80.82 138.37 36.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.928 -1.487 . . . . 64.33 110.724 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.2 tp -81.29 132.35 35.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.589 0.756 . . . . 72.42 109.765 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -116.81 138.37 51.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.957 0.903 . . . . 72.21 109.347 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 0.9 OUTLIER -118.65 101.78 8.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.336 -0.987 . . . . 63.32 108.336 -176.115 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.39 26.57 5.49 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.342 0.867 . . . . 73.24 113.342 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.43 36.09 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.326 0.49 . . . . 70.01 114.326 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.2 OUTLIER -137.24 117.91 13.98 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.442 -0.947 . . . . 75.4 108.442 172.475 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -74.22 155.71 38.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.646 0.26 . . . . 65.14 110.4 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.11 120.46 38.55 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.389 -0.967 . . . . 70.43 108.389 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.08 128.34 35.42 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.942 -0.762 . . . . 73.24 108.942 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.306 0.642 . . . . 75.41 112.124 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.41 15.26 63.65 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.69 -0.506 . . . . 43.4 113.5 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -105.35 176.95 4.99 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 117.5 0.65 . . . . 63.03 109.916 -177.018 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 19.9 m -108.84 156.61 19.46 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.596 0.759 . . . . 71.5 110.096 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.31 -42.13 96.48 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.807 0.843 . . . . 74.3 110.378 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -63.14 -31.39 72.53 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.187 0.595 . . . . 65.44 112.05 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.37 -31.1 63.49 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 73.54 111.538 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -102.06 -7.79 22.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.38 0.672 . . . . 75.31 111.666 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.71 53.88 11.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.225 1.01 . . . . 60.21 110.272 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' B' ' 145' ' ' PHE . 5.4 mm -59.19 124.68 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.581 1.152 . . . . 73.11 110.437 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -92.94 156.34 16.99 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.947 0.88 . . . . 71.31 111.67 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -65.65 141.58 58.34 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 114.651 -1.159 . . . . 62.12 109.186 173.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 58.32 24.41 11.56 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.992 1.317 . . . . 51.54 112.358 -172.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.7 t -62.23 119.12 8.4 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-N 118.083 0.401 . . . . 50.0 110.684 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -92.75 100.44 12.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.057 0.543 . . . . 72.22 109.894 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.13 144.6 25.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.749 0.82 . . . . 65.35 109.19 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 14.9 tt -99.89 120.67 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.977 -0.749 . . . . 71.34 108.977 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 35.9 tp -74.13 130.29 39.49 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.254 -0.647 . . . . 63.22 109.254 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.02 157.15 31.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.108 0.963 . . . . 74.53 110.116 -173.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.37 163.55 27.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.861 0.864 . . . . 75.14 110.498 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.762 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 3.8 t . . . . . 0 N--CA 1.479 0.997 0 C-N-CA 124.576 1.15 . . . . 73.44 112.055 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 744' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 112.836 0.68 . . . . 62.51 112.836 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.14 -39.63 94.42 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.311 1.044 . . . . 73.13 111.273 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.21 -37.54 55.3 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.007 0.817 . . . . 74.31 111.735 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 47.6 mtmt -71.0 -58.3 3.7 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 123.723 0.809 . . . . 62.2 111.623 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.65 -46.07 14.39 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 124.741 1.276 . . . . 72.34 112.142 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -80.17 -23.59 40.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.967 -0.56 . . . . 73.12 110.494 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.92 -39.81 79.42 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.518 -0.549 . . . . 73.41 109.518 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.82 -41.26 95.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.227 1.011 . . . . 74.21 109.742 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.43 -36.92 82.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.472 -0.785 . . . . 71.45 109.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.05 -40.21 87.09 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.531 0.732 . . . . 54.52 110.229 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -61.4 -42.65 99.07 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.53 -0.759 . . . . 61.11 110.683 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -71.25 -27.14 63.24 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 114.846 -1.07 . . . . 75.44 110.324 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 756' ' ' THR . . . . . 0.585 HG23 HH22 ' A' ' 42' ' ' ARG . 81.7 m -66.36 -37.43 85.28 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.568 -0.53 . . . . 73.14 109.568 172.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -64.08 -59.55 4.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 119.667 -0.206 . . . . 75.01 110.775 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.576 HG22 HD12 ' C' ' 762' ' ' LEU . 32.2 mt -61.99 -45.29 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 124.134 0.896 . . . . 61.33 110.533 -173.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.09 -42.74 84.12 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 119.116 -0.468 . . . . 63.12 110.842 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.568 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -72.2 -36.64 69.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.311 0.485 . . . . 42.12 112.311 -175.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.406 ' HE3' ' CZ2' ' A' ' 10' ' ' TRP . 23.8 ptm -66.96 -41.13 87.43 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 107.995 -1.113 . . . . 54.12 107.995 171.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.676 HD13 HD21 ' C' ' 808' ' ' LEU . 20.5 mt -68.62 -13.6 62.46 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.562 0.745 . . . . 64.25 112.921 173.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 95.1 m -75.49 -15.96 60.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.248 0.619 . . . . 71.2 110.675 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.92 -60.43 1.65 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 62.44 110.154 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -91.66 75.36 5.81 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 107.325 -1.361 . . . . 55.14 107.325 172.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.63 28.67 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.814 1.042 . . . . 74.23 113.814 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 23.2 m -158.51 123.87 4.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.502 1.521 . . . . 51.4 107.123 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.602 HD21 ' HG ' ' C' ' 762' ' ' LEU . 0.8 OUTLIER -157.98 149.68 21.67 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.013 0.369 . . . . 71.11 111.859 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 43.6 m -74.56 150.48 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.226 0.536 . . . . 71.01 110.455 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.412 ' O ' HD12 ' C' ' 770' ' ' LEU . 1.8 tp -66.86 -43.24 84.1 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.955 1.302 . . . . 54.01 112.332 -174.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.87 -36.39 48.37 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.201 0.6 . . . . 72.23 111.681 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -57.59 -61.66 2.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.158 0.983 . . . . 61.33 111.115 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.636 HD11 HD11 ' C' ' 799' ' ' LEU . 2.5 pp -72.15 -25.33 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.044 -0.98 . . . . 71.34 110.937 -172.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.441 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 72.6 t80 -62.39 -55.39 28.37 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 109.451 -0.574 . . . . 63.03 109.451 171.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -65.05 -30.16 71.1 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 123.63 0.581 . . . . 74.04 112.181 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 83.2 mtp -64.77 -59.08 4.63 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.434 0.294 . . . . 71.13 110.245 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.404 HD22 HD21 ' C' ' 795' ' ' LEU . 10.6 mp -58.52 -35.69 72.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.363 0.665 . . . . 55.32 111.801 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.68 -47.44 81.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.023 -0.99 . . . . 74.51 109.767 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -54.43 -55.91 24.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.364 0.665 . . . . 75.34 110.38 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.34 -23.08 66.91 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.342 0.868 . . . . 71.24 113.342 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.595 HG11 HG12 ' C' ' 790' ' ' ILE . 7.6 p -83.41 -38.64 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 118.84 0.746 . . . . 74.11 111.836 175.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.37 -22.11 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 112.592 0.59 . . . . 51.22 112.592 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 7.1 p -63.34 -19.15 64.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 112.216 0.45 . . . . 75.53 112.216 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -141.38 -171.51 12.76 Favored Glycine 0 N--CA 1.466 0.666 0 O-C-N 123.67 0.606 . . . . 62.15 111.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.27 -33.57 38.67 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.691 2.261 . . . . 74.11 111.734 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 29.65 -89.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.452 2.301 . . . . 42.52 114.723 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 -0.87 6.78 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.355 1.062 . . . . 72.05 111.177 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.31 64.31 0.97 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.747 1.219 . . . . 32.53 109.846 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 69.12 117.97 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.204 1.401 . . . . 73.43 111.644 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.651 HD12 HD23 ' C' ' 795' ' ' LEU . 26.3 pt -84.8 155.42 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.168 -1.049 . . . . 62.53 108.168 164.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -126.03 163.31 23.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.44 -0.578 . . . . 71.05 109.44 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.8 -43.35 76.77 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 124.188 0.995 . . . . 74.2 112.124 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 793' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' C' ' 794' ' ' GLU . 10.5 pt20 -48.18 -45.05 33.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 73.12 110.861 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 794' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' C' ' 793' ' ' GLN . 7.2 tp10 -86.4 -28.69 23.42 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.271 -1.331 . . . . 72.34 110.637 -173.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.651 HD23 HD12 ' C' ' 790' ' ' ILE . 1.2 tm? -81.77 -57.21 3.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.37 1.068 . . . . 60.43 109.849 -176.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -52.9 -46.47 68.01 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.239 1.016 . . . . 73.15 109.607 167.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 797' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' C' ' 801' ' ' LYS . . . -53.02 -44.68 62.36 Favored Glycine 0 C--N 1.355 1.63 0 O-C-N 124.481 1.113 . . . . 54.05 114.546 171.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -47.09 87.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.921 0.888 . . . . 74.41 110.677 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.636 HD11 HD11 ' C' ' 773' ' ' ILE . 16.9 mt -69.44 -46.13 67.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.17 -1.377 . . . . 74.45 112.531 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.7 -31.53 72.8 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.886 -0.783 . . . . 75.14 108.886 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 801' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 797' ' ' GLY . 0.1 OUTLIER -62.09 -52.81 62.4 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 107.861 -1.163 . . . . 64.23 107.861 174.382 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -56.14 -37.57 69.67 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.634 0.584 . . . . 74.24 112.349 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.42 HG23 ' O ' ' C' ' 799' ' ' LEU . 93.8 t -63.39 -45.49 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 122.989 0.516 . . . . 45.34 110.745 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -79.78 -9.2 59.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.385 0.674 . . . . 73.12 112.133 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -100.79 10.38 41.21 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.737 0.815 . . . . 71.32 110.312 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 61.46 12.8 4.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.54 1.536 . . . . 73.2 113.014 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 807' ' ' GLN . . . . . 0.43 ' O ' ' HD2' ' C' ' 818' ' ' PRO . 17.8 mm100 -78.64 -38.96 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.565 0.746 . . . . 75.43 109.472 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.676 HD21 HD13 ' C' ' 762' ' ' LEU . 28.3 mt -126.92 157.44 39.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.106 0.962 . . . . 54.35 111.033 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 809' ' ' VAL . . . . . 0.462 HG12 ' HD3' ' C' ' 818' ' ' PRO . 5.1 p -128.99 131.77 67.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 107.438 -1.319 . . . . 63.2 107.438 171.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.46 109.6 21.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.345 -0.983 . . . . 74.44 108.345 -176.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.528 ' HB3' HG22 ' C' ' 814' ' ' VAL . 27.5 t -85.68 -145.27 0.1 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.381 -0.97 . . . . 61.02 108.381 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.69 75.46 1.11 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.367 0.985 . . . . 65.31 110.685 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.7 14.36 75.28 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 116.358 -0.383 . . . . 52.32 113.897 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' C' ' 811' ' ' SER . 10.4 m -123.49 151.59 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.148 -0.686 . . . . 73.11 109.148 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 135.3 41.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.237 -0.653 . . . . 74.12 109.237 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.411 ' HB2' HG13 ' C' ' 809' ' ' VAL . 86.8 mtt180 -125.96 137.09 53.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.682 -1.145 . . . . 74.4 108.457 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.674 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 10.3 tp -88.4 106.32 12.17 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.983 -1.117 . . . . 71.33 107.983 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 818' ' ' PRO . . . . . 0.462 ' HD3' HG12 ' C' ' 809' ' ' VAL . 33.1 Cg_endo . . . . . 0 C--N 1.383 2.364 0 C-N-CA 122.762 2.308 . . . . 63.53 112.215 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.702 -0.159 . . . . 53.53 112.702 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.82 -176.13 5.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.076 0.941 . . . . 45.33 109.805 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.472 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -122.5 161.14 24.17 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.608 -1.633 . . . . 75.44 108.011 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.483 HG23 HD13 ' B' ' 167' ' ' LEU . 60.8 mt -134.34 145.55 32.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.124 -0.695 . . . . 73.42 109.124 177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CD1' HG22 ' B' ' 114' ' ' THR . 9.3 m-30 -102.87 101.81 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 106.94 -1.504 . . . . 74.41 106.94 169.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.68 HG13 HD21 ' B' ' 143' ' ' LEU . 86.1 t -91.76 96.36 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 108.548 -0.908 . . . . 54.4 108.548 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -79.42 96.48 6.06 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.358 -0.608 . . . . 71.55 109.358 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -88.7 106.12 18.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.763 0.792 . . . . 72.13 109.11 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' B' ' 110' ' ' TRP . 5.0 p -95.38 137.68 22.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 115.169 -0.923 . . . . 74.03 109.624 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -140.17 143.62 36.21 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 123.899 0.879 . . . . 31.45 109.817 -170.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.613 ' HH2' ' SD ' ' C' ' 776' ' ' MET . 0.1 OUTLIER -112.67 124.76 53.28 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.079 -1.082 . . . . 73.14 108.079 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.07 113.23 14.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.645 0.778 . . . . 64.01 110.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 19.9 m -77.59 104.17 7.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.242 -0.651 . . . . 55.23 109.242 172.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 10.3 mt -90.8 150.85 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 108.769 -0.826 . . . . 64.12 108.769 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -107.55 121.14 44.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.887 -1.153 . . . . 74.31 107.887 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD21 HG23 ' B' ' 105' ' ' VAL . 1.1 pt? -135.52 164.5 27.68 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.503 0.721 . . . . 74.45 109.111 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.53 147.48 35.27 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.442 0.697 . . . . 72.12 109.956 173.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.39 163.05 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.236 -0.893 . . . . 70.5 110.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -108.01 151.53 41.33 Favored Pre-proline 0 N--CA 1.485 1.308 0 C-N-CA 123.553 0.741 . . . . 73.51 110.13 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.29 -29.48 46.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.679 2.252 . . . . 52.41 111.872 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -84.55 -9.94 57.87 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.71 1.204 . . . . 73.22 111.714 -175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -72.38 152.62 41.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 109.767 -0.457 . . . . 71.42 109.767 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -76.95 157.8 31.06 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.591 0.71 . . . . 51.35 110.253 167.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.687 HG21 ' HB3' ' A' ' 50' ' ' LEU . 42.8 mm -67.14 -26.59 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 114.881 -1.054 . . . . 71.23 109.242 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 36.4 tt0 -49.02 -43.97 40.94 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.574 1.149 . . . . 74.1 111.177 170.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -57.08 -52.26 65.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.158 0.911 . . . . 73.41 111.111 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.97 -47.77 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.809 0.843 . . . . 75.13 111.435 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HA ' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -72.44 -29.73 63.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.845 0.458 . . . . 73.15 111.189 -177.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.08 78.57 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.573 0.349 . . . . 24.44 110.776 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -80.08 -35.9 36.29 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.749 0.648 . . . . 74.22 112.749 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 27' ' ' LYS . 2.9 pp -68.69 -32.8 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 119.543 1.065 . . . . 53.23 109.269 172.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.92 -43.13 89.04 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.086 -0.506 . . . . 70.25 110.566 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.67 -49.29 69.11 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.264 1.026 . . . . 54.21 111.5 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.77 -60.03 2.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.105 -0.952 . . . . 70.15 110.534 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' HD11 ' A' ' 36' ' ' ILE . 5.2 tp10 -87.49 -30.45 20.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.808 0.443 . . . . 72.45 111.636 -169.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.26 25.58 16.12 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 113.476 0.15 . . . . 70.02 113.476 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.5 mt -85.26 123.1 73.62 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 123.283 0.633 . . . . 73.4 109.946 -176.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 15.8 Cg_exo -69.4 116.09 4.36 Favored 'Trans proline' 0 CA--C 1.559 1.745 0 C-N-CA 122.484 2.123 . . . . 72.31 111.165 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.66 -24.7 54.98 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.469 2.779 . . . . 62.23 113.963 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.6 -33.69 76.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.271 -0.877 . . . . 75.14 111.821 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 12.3 pt20 -100.35 18.68 18.29 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.376 0.608 . . . . 63.01 111.261 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' HD11 ' A' ' 69' ' ' LEU . 17.5 tt0 -105.33 142.15 35.6 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.516 1.126 . . . . 64.44 111.101 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 3.3 mpt_? -124.36 84.23 2.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.537 -1.283 . . . . 74.3 107.537 163.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 121.22 24.75 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.134 -1.432 . . . . 55.44 107.134 174.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.579 HG12 ' HG3' ' A' ' 49' ' ' GLN . 12.6 mt -126.9 139.56 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 109.466 -0.568 . . . . 65.34 109.466 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 50' ' ' LEU . 37.8 t80 -122.96 109.91 14.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 74.43 109.055 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.32 18.68 5.68 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.074 0.95 . . . . 41.45 112.736 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' HD11 ' C' ' 753' ' ' LEU . . . 93.69 27.16 13.27 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 114.572 0.589 . . . . 61.31 114.572 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -139.2 119.08 13.28 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.245 -1.02 . . . . 71.22 108.245 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.579 ' HG3' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -73.04 131.01 41.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.785 0.834 . . . . 62.54 111.349 -171.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.8 mm? -73.36 98.2 2.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.301 1.04 . . . . 63.21 109.989 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 32.8 mm-40 -70.91 142.25 51.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.796 0.838 . . . . 63.02 111.669 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -41.57 -64.51 0.56 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.321 1.848 . . . . 75.04 113.132 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.88 31.46 8.17 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.836 -0.62 . . . . 52.2 113.263 -177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 8.7 tpt180 -89.59 -179.85 5.88 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.82 -1.178 . . . . 74.2 107.82 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 151.75 36.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.278 0.631 . . . . 74.12 109.409 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 23' ' ' ILE . 4.1 mm? -58.54 -41.74 86.23 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.328 0.651 . . . . 50.44 110.62 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -62.9 -27.19 69.2 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.173 0.989 . . . . 74.32 112.653 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.12 -31.98 70.56 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.117 0.484 . . . . 41.12 110.987 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB2' HG13 ' A' ' 61' ' ' ILE . 75.7 m-85 -97.01 1.44 50.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.647 0.779 . . . . 65.4 110.355 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t30 59.15 30.79 20.65 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.222 1.009 . . . . 72.53 109.931 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 59' ' ' TYR . 49.5 mt -63.16 111.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 114.953 -1.021 . . . . 72.33 109.78 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -108.77 -171.82 1.93 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.395 1.078 . . . . 72.45 108.875 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -65.81 155.2 36.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.297 0.239 . . . . 71.32 110.545 177.172 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 39.27 52.14 2.14 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.093 1.757 . . . . 55.32 113.253 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.063 -0.971 . . . . 61.54 108.984 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.49 123.33 38.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.11 0.564 . . . . 55.21 111.042 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 1.2 mp -114.11 156.6 23.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.579 -1.267 . . . . 71.2 107.579 175.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.96 134.22 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.916 -0.772 . . . . 72.02 108.916 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' H ' ' B' ' 108' ' ' VAL . 39.0 tp -93.01 128.8 39.0 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.1 -0.955 . . . . 75.55 110.135 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.7 mp -120.57 158.37 27.48 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.371 -0.974 . . . . 73.33 108.371 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 tp -99.86 172.12 7.44 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.132 0.973 . . . . 54.35 110.145 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -37.28 124.85 0.99 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.259 1.424 . . . . 72.03 113.783 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.8 -70.82 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.258 -1.016 . . . . 72.15 108.258 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 42' ' ' ARG . 6.5 ptm180 . . . . . 0 CA--C 1.554 1.114 0 CA-C-O 118.512 -0.756 . . . . 55.54 110.156 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 N-CA-C 111.395 -0.682 . . . . 74.43 111.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.38 -179.77 8.25 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.328 0.585 . . . . 75.33 111.509 -174.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.12 123.48 20.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.076 -1.453 . . . . 74.41 107.076 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.5 pt -120.95 175.92 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.105 0.562 . . . . 72.42 111.72 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.0 m-85 -120.9 113.01 19.5 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.211 -0.904 . . . . 71.15 108.631 177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.573 HG23 HD21 ' A' ' 15' ' ' LEU . 63.7 t -107.62 112.85 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.666 -0.864 . . . . 73.31 108.666 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.542 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.4 t0 -80.97 96.88 7.23 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.008 -0.738 . . . . 74.41 109.008 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.6 t -98.06 143.85 28.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.929 0.891 . . . . 75.44 110.949 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.664 ' H ' HD23 ' A' ' 69' ' ' LEU . 4.9 p -109.95 135.87 47.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.093 0.557 . . . . 74.14 110.358 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.39 145.62 39.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.87 0.868 . . . . 73.14 108.983 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -127.66 141.28 51.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.678 0.391 . . . . 75.53 111.264 172.026 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -116.02 145.1 43.26 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.367 1.067 . . . . 72.05 109.413 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' THR . . . . . 0.412 HG23 ' HB3' ' A' ' 4' ' ' PHE . 28.9 m -97.02 112.54 24.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.626 0.77 . . . . 74.32 109.449 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 25.9 mm -97.77 109.56 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 109.176 -0.675 . . . . 74.12 109.176 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 4' ' ' PHE . 39.1 p -89.73 102.01 14.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.991 0.424 . . . . 73.44 110.411 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.26 171.66 7.42 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.7 -0.682 . . . . 73.21 110.091 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 25.2 mt-10 -126.77 135.35 50.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.533 0.733 . . . . 71.43 110.236 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.88 170.76 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-N 115.211 -0.904 . . . . 70.34 110.39 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -108.59 150.43 40.7 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.581 0.752 . . . . 75.12 109.711 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' PRO . . . . . 0.404 ' HB2' ' OG ' ' B' ' 157' ' ' SER . 52.1 Cg_endo -66.22 -33.35 39.95 Favored 'Trans proline' 0 C--N 1.37 1.698 0 C-N-CA 122.642 2.228 . . . . 73.22 113.006 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 62.3 p -82.91 -8.62 59.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.292 0.637 . . . . 55.23 111.898 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -74.44 158.19 34.3 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.525 -0.546 . . . . 75.4 109.525 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -93.19 171.05 9.18 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.616 0.766 . . . . 63.52 110.071 171.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.673 HG21 ' HB3' ' B' ' 150' ' ' LEU . 27.8 mm -73.99 -14.47 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-N 115.482 -0.781 . . . . 71.03 109.705 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.461 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 9.0 pt-20 -60.01 -32.24 70.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.841 0.456 . . . . 72.13 110.382 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 23.3 m120 -66.09 -43.63 86.75 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.927 -0.397 . . . . 73.14 109.927 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.63 -48.37 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.207 0.603 . . . . 71.04 110.576 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.611 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -64.77 -36.49 84.48 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 123.29 0.368 . . . . 74.01 110.927 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -69.04 -33.11 73.07 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.468 0.48 . . . . 70.34 111.644 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.1 mmtt -77.43 -42.38 36.32 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.634 0.373 . . . . 64.51 110.922 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.53 ' HB ' HD12 ' B' ' 136' ' ' ILE . 22.9 pt -71.3 -25.53 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 117.958 0.345 . . . . 73.11 110.705 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -71.68 -46.6 58.32 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.866 0.866 . . . . 75.31 110.982 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.54 -49.82 75.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.622 0.769 . . . . 73.12 110.197 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -80.91 -62.94 1.52 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.615 -1.175 . . . . 72.25 111.296 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -98.35 -10.54 23.65 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.882 0.697 . . . . 74.24 112.882 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.8 64.95 Favored Glycine 0 N--CA 1.469 0.876 0 O-C-N 123.1 0.25 . . . . 52.15 113.165 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.53 HD12 ' HB ' ' B' ' 130' ' ' ILE . 73.6 mt -81.72 122.83 80.7 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.462 0.705 . . . . 72.13 109.553 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 32.1 Cg_exo -59.88 132.11 43.23 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.969 2.446 . . . . 52.52 112.242 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.611 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.6 Cg_endo -53.0 -41.24 72.92 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 123.411 2.741 . . . . 63.04 112.38 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.73 -39.31 65.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.485 1.114 . . . . 60.4 111.224 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 172' ' ' THR . 38.5 mt-30 -97.76 8.25 45.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.343 -0.844 . . . . 74.42 112.957 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' B' ' 127' ' ' LYS . 0.0 OUTLIER -78.64 82.17 4.9 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.862 0.465 . . . . 74.41 110.171 178.328 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' B' ' 142' ' ' ARG . 0.2 OUTLIER -95.26 79.89 3.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.799 -0.815 . . . . 53.13 108.799 172.714 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 5' ' ' VAL . 10.2 mt -89.23 113.58 24.82 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.173 -1.376 . . . . 52.45 108.748 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -100.62 112.16 24.51 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.993 -1.114 . . . . 54.32 107.993 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -110.67 106.08 15.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.062 1.345 . . . . 72.02 109.297 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.88 26.6 15.84 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 124.095 0.872 . . . . 54.1 111.459 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 -3.53 66.3 Favored Glycine 0 C--N 1.347 1.171 0 N-CA-C 114.893 0.717 . . . . 53.03 114.893 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -97.37 126.59 42.71 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.923 -0.769 . . . . 74.3 108.923 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.9 136.79 35.3 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.927 -0.768 . . . . 71.24 108.927 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.673 ' HB3' HG21 ' B' ' 123' ' ' ILE . 10.8 mp -85.75 97.61 10.25 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.772 0.796 . . . . 74.23 112.282 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.11 132.04 35.34 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.7 -1.591 . . . . 64.12 107.382 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.663 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 24.7 m-20 -61.09 -28.29 68.98 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.138 0.975 . . . . 74.55 113.196 -168.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -77.54 -8.0 87.13 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-N 115.739 -0.664 . . . . 63.22 114.359 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.429 ' O ' HG12 ' B' ' 123' ' ' ILE . 3.8 mmp_? -88.83 156.52 18.9 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 117.283 0.542 . . . . 73.51 109.597 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 7.7 p -92.02 163.4 14.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.766 0.426 . . . . 54.24 110.185 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.59 -37.87 85.82 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 109.412 -0.588 . . . . 75.23 109.412 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' B' ' 119' ' ' PRO . 70.1 m -64.52 -29.86 70.89 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.016 0.527 . . . . 62.11 112.049 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.1 -17.31 63.84 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.185 0.594 . . . . 63.41 111.137 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' B' ' 150' ' ' LEU . 86.9 m-85 -102.64 -9.45 20.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.57 0.748 . . . . 73.12 111.081 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.59 52.87 10.4 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.006 0.908 . . . . 73.15 108.994 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' B' ' 159' ' ' TYR . 3.4 mm -62.31 110.51 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 114.391 -1.277 . . . . 74.21 110.18 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -77.12 147.54 36.53 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.345 -1.298 . . . . 75.21 109.426 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -65.14 127.71 32.79 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 108.915 -0.772 . . . . 72.44 108.915 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 68.64 23.36 7.2 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.608 1.193 . . . . 72.45 111.674 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.3 p -59.96 140.94 56.39 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 123.479 0.487 . . . . 74.11 110.944 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -107.16 111.5 23.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.774 0.43 . . . . 73.5 110.781 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.483 HD13 HG23 ' A' ' 3' ' ' ILE . 4.2 mp -113.49 148.15 36.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.459 1.104 . . . . 75.53 108.731 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' C' ' 766' ' ' GLU . 12.9 tt -100.62 115.3 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.535 0.683 . . . . 74.13 110.651 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.599 HD13 ' HG ' ' B' ' 143' ' ' LEU . 67.8 tp -98.46 130.15 45.07 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.299 1.04 . . . . 61.51 109.818 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 170' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 767' ' ' SER . 4.1 mt -130.8 121.8 26.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.134 0.974 . . . . 72.43 108.598 170.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.411 HD21 HG12 ' B' ' 136' ' ' ILE . 7.3 mp -74.81 85.24 2.19 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.988 0.805 . . . . 63.33 109.29 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' B' ' 140' ' ' GLN . 11.6 p . . . . . 0 N--CA 1.485 1.303 0 C-N-CA 124.758 1.223 . . . . 73.54 109.202 -176.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.748 0 N-CA-C 111.535 0.198 . . . . 74.05 111.535 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -53.72 -42.74 68.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.829 1.252 . . . . 63.34 112.067 -177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.88 -54.9 27.93 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.067 0.855 . . . . 70.41 112.068 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.2 -48.23 52.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.831 0.852 . . . . 60.14 112.035 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -41.71 97.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.433 -0.803 . . . . 70.13 110.768 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -75.01 -30.89 61.25 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.44 0.462 . . . . 72.3 110.434 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -48.39 72.75 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.064 0.853 . . . . 72.02 109.954 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.46 -42.85 99.4 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.158 0.911 . . . . 64.11 110.461 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.3 -34.58 78.31 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 123.822 0.701 . . . . 71.23 109.575 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 753' ' ' LEU . . . . . 0.554 HD11 ' HA2' ' A' ' 47' ' ' GLY . 3.1 tm? -71.27 -41.15 70.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.32 1.048 . . . . 64.21 110.159 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.501 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 32.0 m-85 -62.92 -40.99 99.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.469 0.708 . . . . 74.41 109.433 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.438 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.5 t-105 -68.36 -45.21 73.43 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.88 -1.055 . . . . 73.15 110.407 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 756' ' ' THR . . . . . 0.442 HG21 ' HD2' ' A' ' 74' ' ' ARG . 98.6 m -63.41 -32.13 73.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.083 0.553 . . . . 64.5 110.468 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.448 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.03 -60.31 3.67 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.669 -0.696 . . . . 74.43 109.454 171.384 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' C' ' 762' ' ' LEU . 56.3 mt -62.97 -37.01 78.19 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 114.956 -1.02 . . . . 72.51 111.016 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' C' ' 817' ' ' LEU . 52.5 mt-30 -63.56 -58.8 5.84 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.745 0.818 . . . . 71.21 110.906 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -71.71 -22.74 61.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.586 -1.188 . . . . 71.03 111.766 -170.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.711 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.7 ppp? -85.25 -37.58 19.9 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 110.166 -0.309 . . . . 62.31 110.166 172.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' C' ' 761' ' ' MET . 1.7 mm? -68.91 -27.75 66.06 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 123.525 0.73 . . . . 74.13 111.634 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 11.4 t -67.78 -16.82 64.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.535 0.334 . . . . 72.23 111.136 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -104.7 -53.94 2.6 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.341 0.656 . . . . 73.43 109.609 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.458 ' O ' HD13 ' C' ' 762' ' ' LEU . 3.4 mp -96.32 72.58 2.82 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.449 -0.945 . . . . 62.31 108.449 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 26.0 tt0 -78.62 76.1 5.13 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 116.449 -0.341 . . . . 65.14 110.546 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 767' ' ' SER . . . . . 0.484 ' O ' HD13 ' B' ' 170' ' ' LEU . 6.9 m 151.78 103.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 128.008 2.523 . . . . 54.12 110.011 169.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 5.4 mp -133.35 142.65 48.52 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.162 0.585 . . . . 74.13 110.236 169.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 769' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 22.9 t -58.11 144.06 41.59 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.781 -1.1 . . . . 61.13 109.316 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.456 HD13 HD13 ' C' ' 799' ' ' LEU . 5.0 tp -50.89 -36.71 39.54 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.282 0.988 . . . . 71.42 111.578 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.52 -39.25 90.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.379 0.511 . . . . 72.13 112.379 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.45 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 21.5 mtp180 -61.85 -58.53 7.59 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.648 0.379 . . . . 53.3 110.409 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.55 HD12 HD11 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -59.93 -39.86 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 115.089 -0.96 . . . . 52.41 110.618 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.445 ' HA ' HD11 ' C' ' 795' ' ' LEU . 35.4 t80 -56.98 -50.59 72.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.998 0.919 . . . . 61.3 111.303 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -67.58 -30.69 70.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.712 0.405 . . . . 62.13 111.616 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 776' ' ' MET . . . . . 0.613 ' SD ' ' HH2' ' A' ' 10' ' ' TRP . 21.3 mtm -60.73 -55.44 33.13 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.898 -0.408 . . . . 71.2 109.898 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.424 HD21 HD11 ' C' ' 758' ' ' ILE . 10.8 mp -59.48 -34.45 72.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.576 0.75 . . . . 74.52 111.099 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' C' ' 781' ' ' VAL . 27.6 mtm180 -64.55 -44.33 91.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.142 0.577 . . . . 73.34 111.493 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.39 -50.48 67.45 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.347 0.659 . . . . 74.12 110.257 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 780' ' ' PHE . . . . . 0.501 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 7.1 m-85 -68.16 -35.07 77.48 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.385 -0.371 . . . . 73.23 111.574 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.53 HG21 ' H ' ' C' ' 790' ' ' ILE . 6.7 p -77.54 -30.8 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.458 0.303 . . . . 44.51 111.753 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 -33.66 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 117.684 0.22 . . . . 71.23 110.978 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 25.1 p -77.4 -24.85 50.42 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 120.826 0.346 . . . . 62.35 111.483 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -114.29 174.66 15.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.529 -0.759 . . . . 73.12 112.315 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -84.57 17.7 1.69 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 123.397 2.731 . . . . 72.0 112.776 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.47 106.0 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.998 1.719 . . . . 71.34 113.964 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 36.95 38.33 0.09 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.361 2.264 . . . . 63.01 112.929 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.54 -67.36 0.25 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.123 1.369 . . . . 72.01 110.582 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -163.22 133.52 4.46 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.165 0.986 . . . . 64.14 108.455 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.575 HD12 HD12 ' C' ' 795' ' ' LEU . 31.1 pt -80.17 175.86 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.444 0.698 . . . . 74.44 109.55 167.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 791' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' C' ' 794' ' ' GLU . 20.4 t70 -149.65 172.67 14.68 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.992 -0.744 . . . . 74.54 108.992 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.43 -45.99 87.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.85 0.86 . . . . 74.42 111.363 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.59 78.33 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.177 0.298 . . . . 71.43 110.797 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 794' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' C' ' 791' ' ' ASP . 13.1 tp10 -70.4 -47.0 62.87 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.197 0.999 . . . . 72.01 110.561 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.575 HD12 HD12 ' C' ' 790' ' ' ILE . 7.6 tt -76.77 -51.2 11.83 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 124.363 1.065 . . . . 62.25 110.165 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.46 -44.69 89.35 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.825 0.85 . . . . 75.24 110.615 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.5 -34.63 86.45 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.952 0.782 . . . . 61.41 113.599 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 8.2 t80 -64.52 -51.87 60.69 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.088 0.555 . . . . 64.12 109.604 175.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.55 HD11 HD12 ' C' ' 773' ' ' ILE . 3.5 mt -66.61 -29.0 68.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.545 0.738 . . . . 61.31 112.227 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.39 -47.25 77.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.867 -0.79 . . . . 75.41 108.867 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -57.44 -50.43 73.03 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.824 1.327 . . . . 74.41 109.888 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -60.87 -39.76 90.43 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.169 0.803 . . . . 62.21 113.169 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 56.1 t -68.98 -44.67 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 122.926 0.49 . . . . 63.14 110.803 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -78.0 -12.02 59.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.283 0.633 . . . . 74.3 112.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -94.32 -4.82 47.95 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.933 0.893 . . . . 74.43 110.863 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 64.99 14.1 9.11 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.203 1.401 . . . . 65.14 111.556 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 807' ' ' GLN . . . . . 0.413 ' HG3' ' HZ2' ' C' ' 755' ' ' TRP . 5.6 tp-100 -78.0 -22.44 49.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.028 1.331 . . . . 74.21 110.552 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' C' ' 817' ' ' LEU . 1.4 tt -144.24 138.7 28.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.187 -1.412 . . . . 74.12 107.187 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.93 130.32 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.039 0.536 . . . . 74.13 109.879 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -92.44 105.68 17.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.517 -1.29 . . . . 72.24 107.517 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.538 ' HB3' HG13 ' C' ' 814' ' ' VAL . 23.7 t -78.27 -146.84 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.722 0.809 . . . . 63.45 109.273 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.52 72.08 1.88 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.835 0.743 . . . . 64.52 111.486 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.18 21.42 78.04 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.86 -0.609 . . . . 43.31 112.628 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.0 p -143.17 139.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.501 0.721 . . . . 63.45 109.41 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -92.81 134.15 35.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.997 0.519 . . . . 73.31 110.761 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.657 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 5.0 ppt_? -154.19 141.31 19.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.737 0.815 . . . . 75.42 109.197 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.575 HD23 ' HG ' ' C' ' 808' ' ' LEU . 76.7 mt -71.75 143.93 87.66 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 112.08 0.4 . . . . 71.14 112.08 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 C--N 1.383 2.349 0 C-N-CA 124.557 3.505 . . . . 52.32 115.169 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.44 0 N-CA-C 110.765 -0.934 . . . . 32.01 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -160.45 149.61 17.21 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.991 0.9 . . . . 74.33 109.514 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.4 148.3 25.32 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.419 -1.326 . . . . 63.41 107.419 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.39 164.23 31.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 C-N-CA 122.997 0.519 . . . . 73.34 110.018 -174.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.5 ' CD1' HG22 ' B' ' 114' ' ' THR . 4.9 m-85 -123.01 102.78 8.19 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.527 -1.286 . . . . 74.13 107.527 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -90.82 96.8 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.17 -1.048 . . . . 73.54 108.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.91 101.31 1.73 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.374 -0.83 . . . . 73.13 110.248 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -88.47 101.19 13.67 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.311 -0.859 . . . . 43.13 109.077 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.55 135.83 29.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 N-CA-C 108.627 -0.879 . . . . 75.25 108.627 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.63 103.18 7.98 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 71.42 107.133 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.412 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 49.9 t-105 -111.94 108.34 17.66 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 125.31 1.444 . . . . 70.54 108.099 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -154.2 134.76 13.52 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.433 0.458 . . . . 74.11 111.813 -172.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 7.5 m -76.65 116.62 17.5 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.241 -0.89 . . . . 74.13 109.16 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.82 122.11 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.079 -0.712 . . . . 72.01 109.079 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.1 m -88.99 127.56 35.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.459 -0.571 . . . . 74.55 109.459 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.51 171.17 15.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.756 1.222 . . . . 74.22 107.96 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -115.53 158.42 22.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.615 0.721 . . . . 75.22 110.32 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -151.01 172.96 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.009 -1.45 . . . . 70.22 108.842 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 45.3 mt-10 -125.28 150.17 66.44 Favored Pre-proline 0 N--CA 1.482 1.126 0 CA-C-N 118.457 0.571 . . . . 54.51 110.414 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 29.4 Cg_endo -63.39 -30.5 72.68 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.501 2.134 . . . . 74.44 112.603 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -84.51 -4.51 58.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.904 0.882 . . . . 73.44 112.412 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' O ' HD23 ' A' ' 56' ' ' LEU . 26.3 t70 -90.15 139.25 30.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.266 -1.383 . . . . 70.34 107.266 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 19.3 p -80.94 161.39 24.34 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.795 0.807 . . . . 74.55 112.707 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.491 HD13 HD22 ' A' ' 56' ' ' LEU . 13.7 mm -66.84 -28.9 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 113.813 -1.539 . . . . 74.33 110.016 173.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -50.23 -46.57 54.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.919 1.288 . . . . 72.32 111.407 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.93 -44.85 91.64 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.276 -0.874 . . . . 71.2 110.391 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.03 -48.91 80.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 O-C-N 123.733 0.646 . . . . 73.24 110.442 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -51.69 -53.77 35.53 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 125.261 1.424 . . . . 73.12 111.146 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.37 65.32 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-N 114.829 -1.078 . . . . 75.14 112.92 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 15.3 ptpt -82.22 -34.7 28.79 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.164 0.586 . . . . 74.21 110.172 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.547 ' HB ' HD11 ' A' ' 36' ' ' ILE . 14.7 pt -75.55 -34.68 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.482 -0.562 . . . . 73.14 109.482 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.3 -34.96 79.57 Favored 'General case' 0 C--N 1.362 1.137 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.534 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.67 -52.39 38.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.81 0.444 . . . . 71.52 111.074 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 44.5 mmtm -76.98 -64.09 1.21 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.722 -0.672 . . . . 73.13 111.624 -171.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.97 -18.89 38.34 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.402 0.681 . . . . 73.42 111.571 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.97 78.8 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.315 0.384 . . . . 73.54 112.279 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 ' HB ' ' A' ' 30' ' ' ILE . 11.8 pt -88.86 113.73 57.12 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.595 0.758 . . . . 61.33 110.007 -176.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.8 Cg_endo -81.36 134.79 9.13 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.06 2.506 . . . . 55.44 111.521 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -59.13 -42.98 45.6 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 123.621 2.881 . . . . 73.54 113.628 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.58 -33.41 75.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.526 0.731 . . . . 62.03 111.265 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -16.55 24.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.335 1.054 . . . . 65.43 110.613 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 68.4 mt-30 -140.06 98.2 3.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 61.43 109.282 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.573 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.8 103.05 6.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.562 0.745 . . . . 71.43 110.22 -176.392 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 67' ' ' LEU . 4.1 tt -71.86 111.9 7.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.278 1.031 . . . . 61.43 110.214 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.691 HG12 ' HG2' ' A' ' 49' ' ' GLN . 9.1 mt -110.28 133.24 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.302 -0.999 . . . . 54.34 108.302 168.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 20.3 t80 -120.63 119.66 33.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.652 1.181 . . . . 73.22 109.288 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.96 19.26 11.49 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 124.02 0.825 . . . . 51.12 112.321 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.46 29.85 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 115.251 -0.886 . . . . 74.55 113.703 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -143.17 117.98 9.92 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.959 0.904 . . . . 71.13 109.52 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.691 ' HG2' HG12 ' A' ' 44' ' ' ILE . 77.2 mt-30 -70.87 129.45 39.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.302 -0.629 . . . . 63.15 109.302 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.3 mt -87.35 117.34 26.05 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.902 -0.59 . . . . 74.2 110.308 -174.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 53' ' ' GLY . 32.9 tt0 -76.84 123.17 25.84 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.31 -0.859 . . . . 73.11 109.068 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.2 p-10 -61.68 -23.85 66.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.141 0.976 . . . . 74.33 112.037 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' H ' ' HG2' ' A' ' 51' ' ' GLU . . . -74.28 0.96 52.08 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.878 -0.601 . . . . 74.55 114.33 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -111.43 178.8 4.21 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.807 0.804 . . . . 75.21 110.807 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.4 m -115.72 159.17 21.75 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.117 0.967 . . . . 73.42 109.586 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 21' ' ' ASP . 4.4 mm? -62.12 -41.71 98.51 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.149 0.579 . . . . 73.44 112.221 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -30.67 71.74 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.362 0.505 . . . . 75.01 112.362 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' THR . 16.4 t70 -55.79 -33.19 64.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.493 0.717 . . . . 71.43 111.259 174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.84 -12.23 29.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.401 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.34 45.86 22.08 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.41 1.084 . . . . 73.44 110.233 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD13 ' A' ' 56' ' ' LEU . 34.4 mt -71.27 119.68 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 73.0 109.399 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -98.06 -171.76 2.22 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.102 0.961 . . . . 75.21 109.821 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.4 147.24 36.13 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 120.829 0.347 . . . . 71.22 111.273 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 55.93 31.74 18.44 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.614 1.566 . . . . 64.54 112.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -73.59 136.15 43.93 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 123.277 0.631 . . . . 72.31 109.327 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.93 129.08 46.73 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.379 0.609 . . . . 74.54 111.312 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -126.04 164.82 20.01 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.189 1.795 . . . . 75.25 107.128 -177.014 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.17 133.98 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.172 0.511 . . . . 73.41 111.096 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mp -87.05 122.59 31.08 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.197 -0.911 . . . . 74.31 108.966 165.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 3.2 mm? -95.17 125.5 39.86 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.097 -1.446 . . . . 75.44 107.097 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB2' HG13 ' B' ' 108' ' ' VAL . 2.3 tt -70.01 149.12 48.05 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.835 -0.802 . . . . 75.34 108.835 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.465 ' N ' HD23 ' A' ' 71' ' ' LEU . 31.8 m -34.17 104.22 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.279 1.832 . . . . 70.02 113.495 -177.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.3 pp -79.58 -18.74 51.01 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 115.283 -0.871 . . . . 65.22 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 73' ' ' LEU . 6.6 ptm180 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 124.812 1.245 . . . . 54.2 109.06 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.333 -0.307 . . . . 52.55 112.333 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.427 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.29 152.89 26.67 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.79 0.805 . . . . 53.44 110.264 -175.017 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.95 151.45 23.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.524 -1.217 . . . . 72.13 109.504 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -143.68 164.13 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 121.386 0.612 . . . . 71.43 110.828 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 12' ' ' THR . 19.4 m-85 -124.98 104.25 8.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.9 -1.045 . . . . 73.55 108.726 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.4 m -101.62 105.68 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.214 0.915 . . . . 64.31 108.705 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 13.9 t0 -75.35 136.43 40.82 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.627 -0.879 . . . . 75.3 108.627 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.5 t -132.69 141.11 48.43 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 121.27 0.557 . . . . 53.24 110.702 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 71' ' ' LEU . 2.0 p -119.21 124.09 72.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.125 -1.398 . . . . 53.0 108.103 171.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -133.79 146.55 50.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.635 -0.876 . . . . 73.01 108.635 169.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -132.41 131.12 41.46 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.025 -1.102 . . . . 74.44 108.025 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -139.55 158.56 43.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.672 1.189 . . . . 71.03 108.938 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 42.7 m -123.42 120.83 34.11 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.672 0.789 . . . . 52.51 109.424 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 34.1 mm -99.07 110.07 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.35 -0.982 . . . . 72.51 108.35 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.5 HG22 ' CD1' ' A' ' 4' ' ' PHE . 28.0 p -91.0 118.17 30.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.432 -0.581 . . . . 53.01 109.432 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.46 159.73 40.69 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.177 0.591 . . . . 73.51 110.135 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.89 143.16 30.43 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.312 -0.625 . . . . 61.14 109.312 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.52 165.45 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 115.057 -0.974 . . . . 73.44 109.636 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -113.92 152.6 45.82 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.141 0.576 . . . . 52.35 110.487 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.66 -30.32 69.95 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.654 2.236 . . . . 74.52 112.106 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -88.01 0.42 55.96 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.062 0.945 . . . . 62.42 112.157 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -78.51 154.52 30.41 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.152 -0.684 . . . . 75.22 109.152 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -99.71 151.7 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.727 -0.67 . . . . 62.24 109.7 169.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.452 HD13 HD22 ' B' ' 156' ' ' LEU . 26.2 mm -56.36 -17.09 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 C-N-CA 125.588 1.555 . . . . 70.32 112.008 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 0.7 OUTLIER -56.55 -29.3 61.82 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.724 0.81 . . . . 74.41 110.916 176.616 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 3.5 p30 -61.33 -45.74 93.15 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 123.549 0.53 . . . . 64.24 109.609 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.11 -48.96 77.34 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 C-N-CA 123.835 0.854 . . . . 62.43 110.24 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -63.97 -35.86 82.08 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.426 -0.352 . . . . 70.5 110.285 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.69 85.81 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.523 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 32.0 mmtp -69.81 -42.56 73.54 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.973 0.509 . . . . 74.44 111.824 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.7 pt -68.2 -30.78 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-N 118.447 0.567 . . . . 55.43 110.12 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -77.96 -25.17 48.03 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.673 0.789 . . . . 53.41 111.972 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.21 -41.34 25.36 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.872 0.869 . . . . 75.21 110.263 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.42 -63.31 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.648 -1.16 . . . . 74.23 111.136 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.74 -7.87 22.22 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.297 0.481 . . . . 62.55 112.297 -171.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 75.22 27.35 64.14 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-O 119.631 -0.538 . . . . 65.24 113.582 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.88 109.26 14.17 Favored Pre-proline 0 CA--C 1.557 1.23 0 C-N-CA 123.782 0.833 . . . . 75.14 110.131 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 6.8 Cg_exo -70.85 140.26 38.21 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.434 2.09 . . . . 72.33 110.475 171.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.463 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 13.8 Cg_endo -55.08 -33.32 83.22 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.719 2.946 . . . . 63.33 113.437 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.41 -25.56 66.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.492 1.517 . . . . 72.15 113.039 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -100.98 5.1 43.01 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.557 0.743 . . . . 71.43 111.443 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -145.18 145.37 31.32 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.327 0.492 . . . . 54.34 112.327 -173.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.55 10.96 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.231 -1.026 . . . . 51.12 108.231 170.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.457 ' HB2' HE22 ' B' ' 141' ' ' GLN . 54.4 tp -83.42 106.25 15.02 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 107.431 -1.322 . . . . 73.1 107.431 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.59 141.25 30.86 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.012 -0.736 . . . . 45.23 109.012 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' B' ' 150' ' ' LEU . 20.4 t80 -142.61 112.89 7.17 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.224 1.41 . . . . 73.35 107.24 177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 63.0 20.88 12.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.866 0.866 . . . . 75.42 112.791 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.13 60.29 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.876 -0.402 . . . . 73.34 114.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -132.21 135.69 46.5 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.079 -0.711 . . . . 75.15 109.079 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -76.26 150.86 36.93 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.233 0.54 . . . . 71.21 110.073 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 145' ' ' PHE . 48.5 mt -98.45 110.32 22.93 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.42 -0.809 . . . . 60.4 110.089 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 40.6 mt-10 -65.88 128.74 37.21 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.47 -0.937 . . . . 74.44 108.47 172.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.562 ' HB2' ' HG2' ' B' ' 127' ' ' LYS . 8.8 p-10 -60.89 -32.45 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.388 0.675 . . . . 63.42 111.605 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.18 -1.49 90.37 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.561 -0.577 . . . . 42.15 114.429 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 173.31 7.67 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 117.642 0.721 . . . . 73.22 109.188 -175.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 29.2 m -105.41 155.41 19.16 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 72.03 111.2 -173.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.452 HD22 HD13 ' B' ' 123' ' ' ILE . 4.3 mm? -61.97 -45.43 93.69 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.795 0.838 . . . . 74.54 110.858 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.4 t -62.4 -32.56 73.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.264 -0.425 . . . . 71.23 112.129 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.78 -35.0 65.78 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.741 0.65 . . . . 64.13 111.761 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.467 ' HB2' HD12 ' B' ' 161' ' ' ILE . 94.1 m-85 -99.14 -10.84 21.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.11 -0.495 . . . . 73.11 110.587 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 9.2 t30 60.07 63.89 1.35 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.147 0.904 . . . . 73.43 110.423 -171.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.467 HD12 ' HB2' ' B' ' 159' ' ' TYR . 2.0 mp -68.15 119.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.334 -0.848 . . . . 72.53 108.996 167.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.04 162.5 17.56 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.917 0.865 . . . . 72.34 110.86 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -68.84 140.2 55.21 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.766 -0.827 . . . . 64.41 108.766 171.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.97 15.97 10.28 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.866 1.266 . . . . 60.41 111.976 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.8 t -50.78 132.6 26.49 Favored 'General case' 0 C--N 1.374 1.674 0 N-CA-C 112.681 0.622 . . . . 43.33 112.681 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -101.73 105.53 16.43 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.047 0.451 . . . . 51.43 109.941 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.464 HD12 ' N ' ' B' ' 167' ' ' LEU . 1.6 mp -102.93 163.17 12.37 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.432 -1.322 . . . . 73.1 107.432 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 9.1 tt -133.41 122.75 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.612 0.72 . . . . 73.01 110.618 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.42 107.33 15.0 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.783 -1.099 . . . . 63.33 109.615 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.98 159.36 14.96 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.634 -0.876 . . . . 73.13 108.634 169.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.51 176.0 3.73 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.904 0.882 . . . . 73.22 109.676 165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 CA--C 1.56 1.36 0 CA-C-O 121.801 0.81 . . . . 64.11 110.927 173.077 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 120.901 0.381 . . . . 62.41 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.46 -39.45 94.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.618 -0.719 . . . . 71.33 110.099 174.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -47.57 -58.07 4.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.543 1.137 . . . . 74.12 111.814 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 5.7 ptpp? -70.09 -41.42 74.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.452 -0.794 . . . . 60.33 113.133 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.3 -50.58 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.725 0.41 . . . . 73.02 110.576 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.71 -25.77 64.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.477 -0.783 . . . . 73.11 111.197 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -54.54 44.36 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.683 -0.858 . . . . 71.33 108.683 172.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 76.0 mt -60.87 -39.49 89.4 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.467 1.105 . . . . 51.43 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.83 -35.87 81.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.821 0.849 . . . . 72.43 109.708 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.71 -38.46 67.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.471 0.708 . . . . 63.21 110.775 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.445 ' HE2' HD12 ' C' ' 787' ' ' LEU . 28.4 m-85 -65.4 -34.89 79.37 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.248 0.547 . . . . 73.21 109.579 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -71.78 -33.31 68.49 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 115.121 -0.945 . . . . 74.5 110.403 172.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 85.6 m -64.65 -32.94 74.83 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.764 0.711 . . . . 62.12 109.309 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.86 -65.86 0.62 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 74.14 110.679 170.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 51.1 mt -63.67 -26.72 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.355 0.662 . . . . 74.44 111.73 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.5 tt0 -75.74 -53.78 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.367 -0.605 . . . . 74.44 109.367 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -70.28 -20.27 63.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.629 -0.714 . . . . 75.2 112.021 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 26.1 ttt -78.71 -60.71 2.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.928 -0.767 . . . . 73.4 108.928 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' C' ' 768' ' ' LEU . 9.6 mp -74.54 -13.67 60.7 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.677 0.621 . . . . 75.3 112.677 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 763' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 73' ' ' LEU . 5.3 t -64.01 -16.81 62.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.094 0.473 . . . . 70.32 111.401 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -128.65 -38.16 1.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.887 0.875 . . . . 75.4 110.251 171.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.409 HD23 HD23 ' C' ' 768' ' ' LEU . 9.7 tp -90.12 56.66 3.5 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.454 1.102 . . . . 64.13 108.932 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.3 55.31 2.83 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.168 0.987 . . . . 63.52 111.759 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 48.2 m -175.4 91.84 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.519 1.128 . . . . 61.11 109.053 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' C' ' 762' ' ' LEU . 1.7 pp -159.95 154.05 23.32 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 113.056 0.762 . . . . 74.23 113.056 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.5 t -74.85 159.28 32.09 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.136 0.574 . . . . 62.21 110.93 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.441 ' O ' HD12 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -56.76 -42.27 79.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.667 1.187 . . . . 72.21 110.038 170.109 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.39 -44.38 44.98 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.733 0.813 . . . . 75.54 111.93 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' C' ' 776' ' ' MET . 27.0 mtp85 -61.12 -63.78 1.18 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.147 0.904 . . . . 63.53 110.564 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.94 -23.46 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 123.831 0.707 . . . . 74.5 112.26 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.591 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 56.4 t80 -62.79 -55.18 28.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.252 -0.647 . . . . 74.31 109.252 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.16 -37.77 78.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 123.811 0.694 . . . . 64.12 111.511 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 776' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 95.7 mmm -59.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.41 -0.813 . . . . 64.04 109.839 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.591 ' HB3' HD11 ' C' ' 790' ' ' ILE . 10.1 mp -55.67 -32.52 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.815 -0.63 . . . . 75.54 112.646 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.467 ' O ' HG12 ' C' ' 781' ' ' VAL . 10.7 mmm180 -63.23 -52.77 60.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.162 0.585 . . . . 75.31 111.134 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.51 93.68 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.736 -0.386 . . . . 62.52 110.041 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.0 -39.87 93.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.291 0.478 . . . . 71.54 112.291 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 778' ' ' ARG . 3.9 p -75.51 -34.16 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.022 -0.535 . . . . 74.44 111.161 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 22.3 m -88.66 -23.77 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 113.121 0.786 . . . . 74.3 113.121 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.5 p -72.08 -21.51 61.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.253 0.549 . . . . 72.14 111.08 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -117.58 179.32 17.26 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 114.867 -1.061 . . . . 63.21 111.871 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.23 -3.18 13.5 Favored 'Trans proline' 0 C--N 1.369 1.639 0 C-N-CA 122.739 2.293 . . . . 71.03 112.174 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -41.44 101.23 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.329 1.852 . . . . 71.34 112.676 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 787' ' ' LEU . . . . . 0.445 HD12 ' HE2' ' C' ' 754' ' ' PHE . 30.7 mt 57.16 11.38 1.03 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.375 1.07 . . . . 54.13 113.77 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.27 -70.33 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.492 1.117 . . . . 61.41 110.266 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.72 131.43 2.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.428 1.091 . . . . 70.03 108.533 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' C' ' 777' ' ' LEU . 15.4 pt -79.87 154.4 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.556 0.742 . . . . 61.42 110.006 169.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.73 173.51 6.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.172 -0.922 . . . . 72.52 109.602 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.2 -40.88 48.46 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 124.326 1.051 . . . . 70.35 112.359 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -60.57 -44.06 96.6 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.341 0.656 . . . . 74.34 111.405 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.4 -56.38 14.69 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.64 0.776 . . . . 73.21 110.217 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.591 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -53.16 -61.33 2.37 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.937 1.695 . . . . 52.32 111.195 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -58.51 -47.37 84.35 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.043 1.337 . . . . 44.4 111.084 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -59.61 -33.69 78.28 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.319 0.387 . . . . 43.15 113.552 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -72.08 -52.36 17.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.897 0.879 . . . . 71.31 109.953 -176.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 55.5 mt -59.71 -39.78 85.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.12 -1.4 . . . . 72.43 111.094 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 800' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.8 OUTLIER -57.13 -52.73 64.13 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.565 1.165 . . . . 75.34 108.872 177.243 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 801' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.85 -49.58 72.94 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 124.506 1.129 . . . . 74.11 109.378 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.609 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -54.68 -40.64 69.32 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 112.329 0.492 . . . . 75.2 112.329 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.78 -37.54 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 123.111 0.565 . . . . 60.35 111.441 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 804' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 11.5 mmm180 -67.68 -38.24 83.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.199 0.6 . . . . 75.21 111.304 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -83.85 -1.25 54.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.265 1.426 . . . . 72.43 111.476 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 66.08 16.94 10.64 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.581 1.552 . . . . 73.14 111.464 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -81.59 -11.38 59.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.397 1.479 . . . . 74.13 110.894 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.9 OUTLIER -147.16 142.89 27.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.484 -0.932 . . . . 54.05 108.484 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.0 t -105.45 120.27 55.93 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 123.378 0.671 . . . . 63.31 109.623 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -97.18 110.58 23.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.379 1.071 . . . . 73.24 108.189 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 29.4 t -87.59 -144.96 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.569 -0.9 . . . . 73.2 108.569 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.54 75.49 1.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.648 0.658 . . . . 64.21 110.757 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.46 14.07 81.25 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 115.554 -0.748 . . . . 74.54 113.754 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.17 146.67 32.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 122.969 0.507 . . . . 72.12 109.906 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -99.31 148.86 23.72 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 123.248 0.619 . . . . 75.13 110.863 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -158.06 141.78 15.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.89 -1.504 . . . . 72.3 109.7 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.8 mt -82.88 131.35 54.53 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 119.421 -0.323 . . . . 70.23 110.939 173.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.375 1.951 0 C-N-CA 122.696 2.264 . . . . 71.41 111.385 172.27 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.895 -0.482 . . . . 73.33 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.6 ' HG3' HG22 ' B' ' 161' ' ' ILE . 1.4 pmm? -158.18 -169.99 2.98 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.764 0.792 . . . . 74.12 109.653 177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -138.62 158.7 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 125.189 1.395 . . . . 74.02 107.879 175.258 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.422 HD11 HD11 ' B' ' 115' ' ' LEU . 19.3 pt -134.56 163.83 35.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 CA-C-O 121.576 0.703 . . . . 75.34 110.81 175.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.36 103.72 9.72 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.135 -1.431 . . . . 70.51 107.135 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.7 t -91.87 95.03 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 108.085 -1.08 . . . . 73.24 108.085 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.59 97.51 0.79 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.623 0.769 . . . . 75.1 109.652 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 HD23 ' B' ' 169' ' ' LEU . 40.0 p -88.06 107.26 18.66 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.806 -0.813 . . . . 64.24 108.806 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.84 123.29 56.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-N 115.189 -0.914 . . . . 65.24 109.392 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 24.3 mp0 -103.35 82.92 2.11 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.121 -1.437 . . . . 64.33 107.121 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.41 ' CE3' HG22 ' B' ' 108' ' ' VAL . 29.5 t-105 -97.99 104.17 16.18 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 106.628 -1.619 . . . . 72.5 106.628 173.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -160.26 133.61 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.509 0.559 . . . . 70.31 112.509 -165.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 9.6 m -76.38 109.93 10.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.665 0.786 . . . . 72.12 109.392 173.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 18.9 mm -93.59 154.36 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 108.711 -0.848 . . . . 61.33 108.711 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -117.98 129.33 55.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.327 -0.619 . . . . 60.1 109.327 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.36 169.94 16.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.231 1.012 . . . . 65.31 108.447 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.713 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 4.3 tm-20 -121.82 134.58 54.9 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.969 -0.752 . . . . 73.5 108.969 -172.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.06 175.42 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.53 0.732 . . . . 65.42 111.94 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 72.0 mm-40 -107.42 150.86 40.58 Favored Pre-proline 0 N--CA 1.472 0.672 0 CA-C-N 115.258 -0.883 . . . . 74.54 109.606 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.26 -42.06 30.85 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 122.416 2.078 . . . . 62.12 112.031 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -87.81 2.05 52.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.053 0.541 . . . . 62.21 111.37 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.788 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 2.0 t70 -79.33 165.43 23.16 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.575 -0.898 . . . . 72.11 108.575 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -92.91 164.1 13.44 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.469 0.708 . . . . 73.13 111.209 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.679 HG21 ' HB3' ' A' ' 50' ' ' LEU . 29.7 mm -75.58 -19.81 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-N 115.09 -0.959 . . . . 73.22 110.525 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.93 -23.01 64.94 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.929 0.892 . . . . 62.43 110.854 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 57.9 t-20 -53.63 -62.49 1.62 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.312 1.445 . . . . 75.24 109.584 169.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.23 -42.12 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.884 -1.053 . . . . 60.43 110.23 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 35.5 ttpt -53.68 -52.44 60.0 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.523 1.14 . . . . 70.15 111.566 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.78 69.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.517 -0.765 . . . . 65.43 111.531 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.9 mmtp -63.95 -50.37 68.9 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.017 0.527 . . . . 72.52 111.088 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.29 -31.62 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.357 0.263 . . . . 75.43 110.381 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.46 -34.74 72.77 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.76 0.314 . . . . 74.31 111.091 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.58 -48.9 23.99 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.484 0.659 . . . . 61.34 110.866 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -84.47 -59.1 2.48 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.607 -1.179 . . . . 71.23 111.105 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.47 -28.67 31.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.284 0.634 . . . . 71.43 110.637 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.41 16.09 69.77 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.485 -0.78 . . . . 52.43 112.852 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 71.0 mt -70.67 117.17 52.98 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.05 0.54 . . . . 53.21 109.777 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.7 Cg_exo -77.76 118.79 4.59 Favored 'Trans proline' 0 CA--C 1.558 1.711 0 C-N-CA 123.244 2.63 . . . . 72.22 111.634 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HB3' ' HG3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -56.24 -41.89 71.83 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 124.171 3.247 . . . . 73.12 114.834 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.39 -27.78 66.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.659 0.784 . . . . 71.51 112.779 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.8 pt20 -116.41 18.17 15.25 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.103 0.561 . . . . 62.14 111.713 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 2.1 pt20 -113.09 147.4 37.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.383 0.611 . . . . 75.21 110.335 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.731 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 16.0 mtp180 -113.19 92.06 3.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.066 -1.087 . . . . 64.23 108.066 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -78.32 116.09 18.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.288 -1.005 . . . . 71.31 108.288 179.057 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.64 135.0 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 118.159 0.436 . . . . 74.32 110.74 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 45.1 t80 -131.54 112.06 12.3 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 125.348 1.459 . . . . 75.44 108.522 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.44 21.6 8.62 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.296 0.997 . . . . 44.22 112.468 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.2 54.59 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 114.829 0.692 . . . . 71.02 114.829 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -123.64 145.47 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.603 0.701 . . . . 64.11 110.5 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 132.9 35.19 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.963 0.905 . . . . 74.24 110.996 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.5 mm? -91.05 108.29 19.77 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.574 0.75 . . . . 64.52 109.294 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 40.7 mt-10 -85.72 135.29 33.81 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.188 -1.042 . . . . 74.02 108.188 171.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p-10 -63.81 -36.9 85.43 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.945 0.403 . . . . 71.14 111.345 -170.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 14.59 48.71 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.156 -0.475 . . . . 71.05 113.32 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tpt180 -98.7 165.07 11.97 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.612 -1.255 . . . . 74.41 107.612 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -96.96 157.61 15.82 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.527 0.603 . . . . 55.33 110.19 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.8 -37.99 80.7 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.258 -0.645 . . . . 73.44 109.258 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -67.01 -28.92 68.64 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.497 1.119 . . . . 71.35 112.66 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.85 -37.95 69.43 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.286 0.565 . . . . 51.4 110.494 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.9 m-85 -94.73 -0.01 54.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.958 -1.019 . . . . 73.21 111.076 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 t30 59.77 36.5 22.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.114 0.959 . . . . 54.22 110.404 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' A' ' 59' ' ' TYR . 38.5 mt -66.03 115.97 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.815 -1.084 . . . . 41.43 111.13 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.8 -170.89 1.79 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.536 1.134 . . . . 70.5 109.865 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.8 ttmt -72.59 143.91 48.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.844 0.457 . . . . 74.01 110.102 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.516 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 42.5 mt-10 60.43 26.54 16.12 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.632 1.573 . . . . 74.43 113.227 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.9 m -75.05 122.42 23.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.847 0.459 . . . . 63.42 110.632 177.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.52 127.9 40.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.502 0.721 . . . . 72.2 111.073 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -126.81 133.85 50.69 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.151 -1.425 . . . . 72.44 107.151 177.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 tt -99.82 137.9 25.86 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.521 0.677 . . . . 62.24 110.116 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.511 HD23 ' HG ' ' A' ' 43' ' ' LEU . 64.6 mt -98.92 104.23 16.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.454 -1.248 . . . . 60.22 108.299 174.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.731 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 78.7 mt -92.56 158.78 15.81 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.365 -0.976 . . . . 72.43 108.365 176.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 tp -100.47 168.91 9.44 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 109.125 -0.694 . . . . 72.21 109.125 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.87 109.48 0.2 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.419 1.088 . . . . 70.33 110.76 170.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' C' ' 760' ' ' ALA . 4.3 tt -82.13 -72.22 0.45 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.887 -1.153 . . . . 74.14 107.887 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 0 N-CA-C 108.164 -1.05 . . . . 65.13 108.164 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.227 -0.749 . . . . 65.23 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -156.31 158.93 38.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.358 0.663 . . . . 54.34 111.22 -175.077 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.713 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 16.1 mp0 -109.66 123.57 49.7 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.67 -1.233 . . . . 73.51 107.67 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.2 pt -120.48 165.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 123.112 0.565 . . . . 74.13 110.966 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 12.6 m-85 -110.24 124.94 52.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.323 -0.853 . . . . 61.43 108.847 -176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.5 108.04 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 107.888 -1.152 . . . . 70.35 107.888 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 8.5 t0 -74.54 102.39 4.5 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.487 -0.931 . . . . 63.42 108.487 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.461 ' HA ' HD12 ' A' ' 69' ' ' LEU . 62.2 p -90.46 140.79 29.4 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.632 1.173 . . . . 73.35 111.273 -172.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.432 HG11 ' OD1' ' C' ' 764' ' ' ASN . 44.8 t -116.61 109.17 27.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 124.518 1.136 . . . . 75.02 109.051 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 1.8 mp0 -115.98 139.47 50.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.325 -1.361 . . . . 65.42 107.325 169.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -135.89 132.85 37.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.96 -1.496 . . . . 74.13 106.96 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -150.86 123.04 8.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.97 0.794 . . . . 74.52 109.571 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 124.44 31.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.796 0.438 . . . . 71.11 109.886 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mm -100.26 111.24 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.617 -0.882 . . . . 74.01 108.617 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.5 m -93.54 119.99 33.27 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.594 -0.521 . . . . 24.01 109.594 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -137.96 168.57 19.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.202 0.601 . . . . 53.3 110.106 176.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 6.2 mp0 -106.15 150.26 26.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.744 0.818 . . . . 75.01 109.376 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.45 HG13 ' SD ' ' A' ' 1' ' ' MET . 7.2 p -152.51 164.07 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.936 0.772 . . . . 61.43 109.147 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -113.81 152.3 45.46 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 123.084 0.554 . . . . 74.03 110.648 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.2 -29.52 64.57 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 123.136 2.557 . . . . 75.42 112.806 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 24.7 m -78.71 -17.59 55.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.813 0.845 . . . . 62.02 112.117 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.73 156.96 28.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.657 0.383 . . . . 61.45 110.51 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 3.3 p -86.57 158.08 19.59 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.211 0.605 . . . . 72.13 110.751 173.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 27.4 mm -61.86 -25.48 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.918 -1.037 . . . . 65.14 109.48 168.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' B' ' 152' ' ' ASP . 7.9 tt0 -48.7 -33.22 9.72 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.82 1.248 . . . . 64.12 112.74 173.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -43.71 93.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 123.505 0.503 . . . . 74.22 110.446 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.42 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 24.9 t -68.24 -40.57 82.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.161 0.584 . . . . 50.41 110.233 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -55.9 -51.09 68.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.017 0.927 . . . . 71.43 110.911 172.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -32.25 71.82 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.56 -1.2 . . . . 71.52 111.373 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' B' ' 126' ' ' VAL . 0.5 OUTLIER -79.36 -36.81 38.76 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 119.054 -0.498 . . . . 72.33 111.785 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 136' ' ' ILE . 29.9 pt -70.0 -31.51 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.847 0.749 . . . . 32.11 110.145 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.56 -45.84 71.02 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.012 0.525 . . . . 74.33 110.621 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.49 -49.87 75.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.908 0.883 . . . . 72.13 110.694 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 133' ' ' LYS . 10.5 mmpt? -79.5 -69.86 0.55 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.396 -1.274 . . . . 74.44 111.105 -177.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 134' ' ' GLU . . . . . 0.428 ' HB2' HG13 ' B' ' 136' ' ' ILE . 12.2 mm-40 -91.56 -6.79 51.83 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 111.886 0.328 . . . . 75.54 111.886 -164.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.8 32.56 63.81 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.339 0.399 . . . . 63.11 112.655 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' B' ' 134' ' ' GLU . 80.2 mt -85.95 116.09 64.36 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.671 0.788 . . . . 74.2 109.849 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.524 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 37.9 Cg_endo -69.2 133.95 27.92 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.168 1.912 . . . . 71.55 111.66 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.524 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.0 Cg_endo -43.66 -38.34 9.15 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.809 3.672 . . . . 54.23 114.039 171.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.31 -37.71 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.972 -1.467 . . . . 72.32 111.985 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 137' ' ' PRO . 21.1 mt-30 -106.09 -0.46 24.75 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.425 ' HB2' HD11 ' B' ' 169' ' ' LEU . 5.4 pp0? -85.39 145.13 27.62 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.748 -0.464 . . . . 72.23 109.748 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.33 70.72 1.44 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.008 -1.478 . . . . 74.1 107.008 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 101.21 5.95 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.036 -1.098 . . . . 71.2 108.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.23 149.74 23.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.861 0.864 . . . . 54.23 110.349 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' B' ' 150' ' ' LEU . 14.4 t80 -138.91 102.62 4.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.453 -1.314 . . . . 73.11 107.453 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.48 10.56 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.367 1.067 . . . . 33.5 113.199 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.3 17.59 36.38 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-O 119.809 -0.439 . . . . 74.03 113.958 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 3.8 ptpp? -141.26 123.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.39 -0.596 . . . . 74.42 109.39 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 154.78 39.39 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.817 0.341 . . . . 72.45 110.856 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -98.71 118.86 36.39 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.777 -0.823 . . . . 73.23 108.777 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -77.8 132.09 37.89 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.42 -0.955 . . . . 73.52 108.42 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.597 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 5.5 p-10 -60.56 -29.48 69.18 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.711 0.632 . . . . 74.12 111.602 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -74.49 5.95 26.33 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.354 -0.839 . . . . 60.12 114.341 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -112.77 173.54 6.33 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 117.654 0.727 . . . . 72.3 109.71 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 9.9 m -103.81 163.27 12.45 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.255 1.022 . . . . 73.12 109.931 -173.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.56 -43.72 89.0 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.719 -0.475 . . . . 74.2 109.719 171.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.1 t -67.04 -25.72 66.41 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.983 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.94 -31.27 68.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.34 0.656 . . . . 64.32 111.607 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.458 ' HB2' HD12 ' B' ' 161' ' ' ILE . 89.5 m-85 -106.68 -7.27 17.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.828 0.451 . . . . 74.22 110.384 176.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 51.71 62.59 2.63 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.469 1.107 . . . . 62.21 111.104 -170.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.6 HG22 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -58.51 124.79 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.726 -0.67 . . . . 74.41 109.904 173.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -79.15 154.13 29.54 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.68 0.752 . . . . 60.21 109.849 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.52 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 16.9 ptmt -61.47 129.37 40.83 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 108.399 -0.963 . . . . 51.21 108.399 168.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 164' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 39.2 mt-10 70.75 30.6 2.93 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 124.375 1.047 . . . . 74.12 110.628 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.5 m -52.12 144.96 11.25 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.746 0.418 . . . . 63.44 111.578 164.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -114.53 117.84 32.07 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.211 -0.663 . . . . 75.42 109.211 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 167' ' ' LEU . 0.3 OUTLIER -130.32 128.99 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.809 -1.182 . . . . 44.0 107.809 -173.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 18.9 pt -99.5 116.89 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 121.538 0.685 . . . . 72.31 109.934 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 7' ' ' THR . 45.2 tp -82.37 99.16 9.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.261 -0.644 . . . . 74.43 109.261 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -95.41 161.91 13.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.695 1.198 . . . . 72.33 109.926 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.08 162.71 20.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.666 0.386 . . . . 73.14 111.283 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 7.7 t . . . . . 0 N--CA 1.485 1.29 0 C-N-CA 125.532 1.533 . . . . 60.03 114.394 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.748 0 CA-C-O 120.742 0.306 . . . . 74.15 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.25 -54.97 40.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.501 1.121 . . . . 75.15 112.4 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -44.72 -51.7 9.03 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.301 1.041 . . . . 63.12 112.13 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.95 -49.27 38.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.707 -1.133 . . . . 75.03 112.27 -168.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.66 -35.87 77.29 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.789 0.68 . . . . 64.34 110.646 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.43 -40.25 64.38 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 111.82 0.304 . . . . 64.14 111.82 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.81 -26.7 44.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.277 0.231 . . . . 73.52 110.839 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.448 ' HG ' ' HE2' ' C' ' 798' ' ' TYR . 2.8 mp -65.99 -47.72 73.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.04 0.536 . . . . 63.03 109.786 169.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.75 -37.21 86.5 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.829 0.705 . . . . 72.41 109.519 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -44.93 83.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.46 0.704 . . . . 72.23 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.631 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 21.0 m-30 -59.27 -41.68 89.44 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.697 0.623 . . . . 63.25 110.023 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.411 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 32.1 t-105 -68.29 -29.38 68.14 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.121 -0.945 . . . . 74.52 111.092 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 86.0 m -67.62 -38.03 83.35 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.261 0.482 . . . . 42.41 110.001 174.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.631 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 45.3 m-85 -62.64 -55.89 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.862 -0.422 . . . . 72.13 109.862 175.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.818 HD11 HD11 ' C' ' 777' ' ' LEU . 47.9 mt -64.16 -42.72 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.038 0.935 . . . . 65.34 111.296 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.48 -55.43 15.62 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.897 -0.779 . . . . 72.45 108.897 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -67.16 -26.48 66.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.771 0.669 . . . . 75.35 112.792 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.554 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.7 ppp? -75.06 -52.33 11.31 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.564 -0.902 . . . . 71.32 108.564 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.44 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 80.8 mt -68.82 -13.5 62.45 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.811 0.845 . . . . 74.21 113.013 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 50.5 m -53.96 -34.01 58.51 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.415 1.086 . . . . 64.41 110.544 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' B' ' 108' ' ' VAL . 1.9 p30 -123.21 -38.12 2.62 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.254 1.422 . . . . 63.04 110.294 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' C' ' 761' ' ' MET . 53.5 mt -83.7 46.78 1.2 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.789 1.235 . . . . 72.45 110.838 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 0.1 OUTLIER -66.47 93.57 0.24 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.627 -0.715 . . . . 70.41 109.338 -178.028 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 767' ' ' SER . . . . . 0.409 ' O ' HD23 ' C' ' 768' ' ' LEU . 64.9 m 119.06 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 128.017 2.527 . . . . 63.33 111.132 169.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.46 ' HB3' ' HD2' ' C' ' 772' ' ' ARG . 54.9 mt -128.35 143.85 51.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.02 0.528 . . . . 73.13 110.523 175.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 49.1 m -60.08 151.64 26.16 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.816 0.846 . . . . 71.05 111.85 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.33 -23.11 63.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 114.8 -1.091 . . . . 74.11 111.644 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.72 -51.55 65.24 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.061 0.545 . . . . 64.14 111.02 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.46 ' HD2' ' HB3' ' C' ' 768' ' ' LEU . 62.7 mtt180 -61.53 -56.65 17.66 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.913 0.885 . . . . 71.13 110.919 -176.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -38.44 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 115.457 -0.792 . . . . 62.32 111.327 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 64.9 t80 -63.07 -45.99 89.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.524 0.33 . . . . 75.3 110.205 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.2 -41.19 92.45 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 123.694 0.621 . . . . 73.54 111.32 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 28.4 mtm -64.63 -52.44 57.41 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.534 0.521 . . . . 55.11 110.368 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.818 HD11 HD11 ' C' ' 758' ' ' ILE . 26.4 mt -53.79 -39.65 65.64 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.242 0.617 . . . . 74.34 111.195 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.9 tpt180 -67.16 -43.35 82.51 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.081 -0.963 . . . . 70.14 110.106 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -54.34 38.59 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 123.721 0.638 . . . . 73.0 110.095 171.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.19 -23.03 61.96 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.57 HG11 HG12 ' C' ' 790' ' ' ILE . 2.2 p -84.35 -33.45 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.124 0.17 . . . . 75.31 110.915 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.76 -26.14 6.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 C-N-CA 122.239 0.216 . . . . 72.42 111.462 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 14.7 p -70.01 -21.8 63.17 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 111.947 0.351 . . . . 73.25 111.947 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -122.46 179.9 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.233 -0.747 . . . . 71.41 111.233 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.95 8.02 4.29 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.822 2.348 . . . . 64.33 112.954 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -44.65 111.42 0.31 Allowed 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.121 1.768 . . . . 61.21 113.518 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 17.9 mt 60.83 9.96 2.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.294 1.038 . . . . 71.12 113.706 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 57.38 38.66 28.48 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.886 0.874 . . . . 32.31 111.094 -170.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 72.23 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.04 1.736 . . . . 62.43 111.805 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.57 HG12 HG11 ' C' ' 781' ' ' VAL . 2.7 pt -69.67 167.73 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.628 1.171 . . . . 62.33 111.438 173.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.58 166.9 17.15 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.009 -0.996 . . . . 61.13 108.468 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.36 -38.89 92.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.864 0.865 . . . . 65.11 112.138 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.68 -36.02 82.93 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.076 0.465 . . . . 72.25 110.388 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.71 -35.68 51.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.172 -0.922 . . . . 61.04 109.813 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.563 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.76 -57.61 7.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.989 1.316 . . . . 71.44 109.374 177.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -60.93 -41.43 96.17 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.656 -1.611 . . . . 71.54 110.189 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.0 92.76 Favored Glycine 0 C--N 1.345 1.067 0 O-C-N 124.188 0.93 . . . . 55.24 113.473 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.448 ' HE2' ' HG ' ' C' ' 751' ' ' LEU . 16.9 t80 -64.09 -53.43 49.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.59 0.71 . . . . 62.43 110.117 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.45 ' O ' HG23 ' C' ' 803' ' ' VAL . 15.4 mt -64.65 -33.17 75.32 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.619 -1.173 . . . . 55.05 111.768 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 800' ' ' GLN . . . . . 0.522 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 10.8 tt0 -59.33 -52.85 63.88 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 124.314 1.009 . . . . 65.13 108.637 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.32 85.58 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 124.292 0.995 . . . . 50.51 110.705 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 2.5 mptp? -59.27 -43.8 92.49 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.216 0.947 . . . . 52.13 112.536 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 799' ' ' LEU . 72.9 t -61.1 -43.1 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 118.507 0.594 . . . . 74.13 110.382 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 804' ' ' ARG . . . . . 0.522 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 10.9 mpt_? -74.64 -18.13 60.59 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.3 1.04 . . . . 73.33 111.767 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.87 -6.96 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.218 1.007 . . . . 72.23 109.896 175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 66.61 14.01 9.57 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.882 1.673 . . . . 62.13 111.16 -171.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -80.57 -26.84 37.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.292 1.437 . . . . 71.32 111.192 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.646 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.3 OUTLIER -123.88 143.25 50.47 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.869 0.868 . . . . 65.13 110.034 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 809' ' ' VAL . . . . . 0.61 ' HB ' ' HG3' ' C' ' 816' ' ' ARG . 78.7 t -108.47 133.34 53.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 107.761 -1.2 . . . . 75.43 107.761 164.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -113.0 111.26 21.87 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.977 -1.12 . . . . 64.34 107.977 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -88.54 -147.53 0.16 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.181 -1.044 . . . . 75.54 108.181 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.88 77.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.974 0.806 . . . . 75.2 110.794 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.79 15.27 79.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.703 -0.68 . . . . 73.4 113.658 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 20.1 m -126.13 141.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.111 0.564 . . . . 72.51 109.722 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -96.39 143.52 27.36 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.219 0.607 . . . . 71.01 110.585 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.668 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 2.8 ptp180 -151.93 141.33 21.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.862 -1.063 . . . . 73.03 108.413 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 95.0 mt -81.08 131.0 60.71 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 108.805 -0.813 . . . . 75.33 108.805 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 818' ' ' PRO . . . . . 0.442 ' HD3' HG23 ' C' ' 809' ' ' VAL . 8.9 Cg_endo . . . . . 0 C--N 1.377 2.063 0 C-N-CA 123.081 2.521 . . . . 61.31 112.243 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 110.921 -0.871 . . . . 53.42 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.86 158.6 44.29 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 14.4 mp0 -107.45 167.56 9.85 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.233 0.469 . . . . 70.12 111.592 -171.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' B' ' 165' ' ' SER . 21.5 pt -142.09 161.44 20.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 C-N-CA 123.899 0.88 . . . . 75.32 110.031 171.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' HD23 ' B' ' 167' ' ' LEU . 38.1 m-85 -119.11 110.51 17.15 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 124.344 1.058 . . . . 73.31 109.463 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 55.8 t -93.47 96.69 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.714 -0.847 . . . . 74.32 108.714 -174.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 5.8 m-20 -75.32 96.41 3.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.89 0.876 . . . . 63.42 108.875 -175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.447 HG23 ' HB2' ' B' ' 111' ' ' LYS . 7.8 t -91.64 110.31 21.63 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.258 -0.645 . . . . 74.14 109.258 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.501 HG21 HD12 ' C' ' 765' ' ' LEU . 7.2 p -111.96 133.33 57.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.477 0.656 . . . . 53.32 110.377 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -101.71 93.78 5.51 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.204 -1.406 . . . . 54.11 107.204 169.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -104.2 103.87 13.7 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 106.401 -1.703 . . . . 75.05 106.401 167.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -161.03 139.04 9.52 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.657 0.598 . . . . 74.32 111.602 -167.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 4.0 m -85.4 124.57 32.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.774 0.829 . . . . 55.45 109.669 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 44.5 mm -95.19 141.82 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -111.09 121.89 46.49 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.255 -0.646 . . . . 74.54 109.255 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 HG23 ' B' ' 105' ' ' VAL . 1.2 pt? -137.53 166.85 22.9 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.77 0.828 . . . . 34.52 108.839 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.64 148.89 30.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.385 0.674 . . . . 55.12 109.57 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.93 162.76 2.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.743 -1.117 . . . . 70.15 108.16 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.06 151.08 57.84 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 109.067 -0.716 . . . . 61.34 109.067 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.62 -23.52 76.01 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.603 2.202 . . . . 64.53 112.934 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -80.87 -12.23 59.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.307 0.643 . . . . 41.11 112.712 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.35 158.85 33.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.616 0.366 . . . . 70.24 110.687 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 1.6 p -88.41 165.07 15.19 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.455 0.702 . . . . 65.33 110.812 169.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 50' ' ' LEU . 34.1 mm -74.56 -26.55 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-N 115.4 -0.818 . . . . 73.13 110.179 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.79 -30.1 71.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.037 0.535 . . . . 71.23 110.399 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 37.7 t30 -57.46 -48.78 78.28 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 123.633 0.583 . . . . 73.03 109.621 171.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.26 -42.3 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 C-N-CA 123.933 0.893 . . . . 64.11 111.011 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -64.95 -33.87 77.07 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 120.961 0.41 . . . . 74.33 110.024 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.71 64.61 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.795 -0.639 . . . . 73.21 111.498 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 74.1 mmtt -64.93 -50.07 67.93 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.112 0.565 . . . . 72.13 109.873 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.563 HG21 HD11 ' A' ' 69' ' ' LEU . 2.6 pp -69.63 -32.12 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 122.316 0.246 . . . . 72.51 111.232 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -65.81 -42.84 90.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.853 0.359 . . . . 73.42 111.083 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.17 -46.35 56.74 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.489 -0.778 . . . . 74.43 111.256 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -90.8 -50.91 5.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.895 -1.048 . . . . 72.42 111.723 -170.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.655 ' HG2' HG21 ' B' ' 107' ' ' THR . 2.7 mp0 -85.97 -29.38 23.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.325 -0.25 . . . . 71.52 110.325 -176.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.95 30.91 21.99 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.088 0.242 . . . . 74.12 113.215 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 HD13 ' A' ' 69' ' ' LEU . 48.8 mt -92.64 120.13 67.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 123.415 0.686 . . . . 75.13 110.041 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -61.22 121.22 9.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.124 2.549 . . . . 70.24 111.962 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 19.4 Cg_endo -55.48 -32.52 82.72 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.953 3.102 . . . . 65.43 113.687 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.19 -44.13 96.26 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 124.217 0.948 . . . . 63.33 111.672 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -79.88 -14.58 58.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.346 0.658 . . . . 72.11 111.642 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -85.97 139.78 30.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.393 1.477 . . . . 73.12 110.762 -177.111 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -146.32 97.77 2.98 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.098 0.959 . . . . 75.02 108.864 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -77.62 129.19 35.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.223 1.009 . . . . 73.05 110.091 -178.468 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -128.87 136.57 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 N-CA-C 108.859 -0.793 . . . . 63.34 108.859 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 50' ' ' LEU . 11.0 t80 -129.22 119.69 24.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.289 1.436 . . . . 71.11 108.24 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 18.62 7.71 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.273 0.983 . . . . 65.01 112.643 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.02 14.92 53.97 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.236 0.454 . . . . 34.03 114.236 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -125.87 130.28 51.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.765 0.826 . . . . 61.5 110.079 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -72.27 140.58 48.68 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.369 0.668 . . . . 75.31 111.484 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.52 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.8 mm? -97.82 98.01 9.47 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.241 1.016 . . . . 54.41 108.717 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -82.82 129.04 34.94 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.84 -0.8 . . . . 61.34 108.84 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.7 p-10 -59.87 -27.46 66.7 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.982 1.313 . . . . 74.11 113.765 -165.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -2.1 81.54 Favored Glycine 0 N--CA 1.471 1.027 0 N-CA-C 114.254 0.461 . . . . 53.52 114.254 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.61 178.45 7.06 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.353 0.661 . . . . 73.22 110.565 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 19.8 m -110.54 156.94 20.2 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.873 1.269 . . . . 61.4 109.023 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 HD13 ' A' ' 23' ' ' ILE . 3.7 mm? -61.24 -40.35 93.7 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.075 0.55 . . . . 71.22 109.824 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 t -63.81 -30.92 71.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.868 0.867 . . . . 74.11 112.091 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.99 -28.08 68.76 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.261 0.625 . . . . 64.34 110.837 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -100.02 -7.42 25.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.331 0.652 . . . . 72.31 111.438 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 54.85 43.84 29.35 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.995 0.918 . . . . 53.23 110.73 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG13 HD13 ' A' ' 56' ' ' LEU . 5.3 mm -55.94 126.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.023 0.929 . . . . 74.22 110.953 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -94.36 178.47 5.61 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.894 0.878 . . . . 62.25 110.109 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -87.11 161.73 17.95 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 109.688 -0.486 . . . . 75.01 109.688 169.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 40.85 31.07 0.11 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.987 2.115 . . . . 74.43 113.735 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.442 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.3 m -76.86 133.3 39.36 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.225 -0.898 . . . . 53.12 110.429 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.88 110.38 22.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.567 0.699 . . . . 62.4 110.029 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.2 mp -109.69 165.02 12.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.101 1.36 . . . . 74.44 107.536 175.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.0 tt -140.55 134.24 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.479 0.657 . . . . 71.43 111.43 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.778 HD12 HG22 ' B' ' 107' ' ' THR . 45.4 mt -87.78 116.04 25.65 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.739 -1.119 . . . . 64.12 108.64 168.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' HB3' ' HB1' ' C' ' 760' ' ' ALA . 82.7 mt -94.33 141.71 28.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.766 -1.198 . . . . 70.22 107.766 173.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 tp -85.96 162.48 18.52 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.031 -0.729 . . . . 74.25 109.031 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -35.52 100.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.661 1.184 . . . . 70.21 113.404 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' C' ' 760' ' ' ALA . 0.3 OUTLIER -74.38 -36.08 63.52 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.039 -0.982 . . . . 74.13 109.476 166.103 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.117 1.367 . . . . 62.34 108.898 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 110.914 -0.874 . . . . 62.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.77 145.0 30.73 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.848 -0.797 . . . . 73.25 108.848 173.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.1 122.73 47.48 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.303 -0.999 . . . . 71.14 108.303 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.28 160.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.186 0.595 . . . . 74.2 110.903 -170.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 45.0 m-85 -110.94 108.17 17.85 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 108.543 -0.91 . . . . 74.3 108.543 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.538 HG23 HD21 ' A' ' 15' ' ' LEU . 97.5 t -106.99 108.63 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 107.976 -1.12 . . . . 71.25 107.976 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 5.4 t0 -70.96 145.76 49.89 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.059 -0.348 . . . . 62.45 110.059 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.778 HG22 HD12 ' A' ' 69' ' ' LEU . 66.6 p -133.6 138.06 45.78 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 123.457 0.703 . . . . 62.32 110.654 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.445 HG23 HD13 ' C' ' 765' ' ' LEU . 6.0 p -115.4 127.18 73.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 O-C-N 124.677 1.235 . . . . 63.43 108.814 167.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -141.09 85.88 2.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.528 -0.545 . . . . 75.32 109.528 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -86.89 134.92 33.48 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.841 -0.8 . . . . 75.11 108.841 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.447 ' HB2' HG23 ' A' ' 7' ' ' THR . 99.0 mttt -141.99 153.52 44.34 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.173 1.389 . . . . 70.12 108.343 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.3 m -116.27 117.16 29.22 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.278 -0.638 . . . . 75.23 109.278 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 55.8 mt -91.39 157.99 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.369 -0.974 . . . . 61.12 108.369 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 63.9 m -137.98 125.76 22.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.631 0.772 . . . . 71.33 109.519 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' B' ' 129' ' ' LYS . 0.7 OUTLIER -141.71 166.77 23.82 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.248 -0.649 . . . . 74.11 109.248 173.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 29.5 tt0 -108.27 139.47 42.91 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.637 -0.875 . . . . 72.51 108.637 168.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 170.52 11.82 Favored 'Isoleucine or valine' 0 C--O 1.248 1.007 0 C-N-CA 125.483 1.513 . . . . 74.04 109.649 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -113.66 142.3 27.45 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 109.167 -0.679 . . . . 74.11 109.167 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.75 -32.02 38.32 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 123.093 2.529 . . . . 74.22 111.773 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -78.79 -16.8 56.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.264 1.026 . . . . 73.2 111.729 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 157.34 23.42 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.923 0.489 . . . . 62.13 110.653 -176.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -84.17 165.5 18.38 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.145 -0.934 . . . . 71.41 111.422 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 39.9 mm -70.51 -21.53 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.349 -0.842 . . . . 63.41 110.092 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.576 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 11.6 pt-20 -58.26 -30.89 66.93 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.848 0.459 . . . . 75.02 110.735 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -65.61 -43.67 88.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 64.31 110.866 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.5 -50.0 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.387 0.675 . . . . 65.42 110.063 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 53.3 pttt -64.81 -40.38 95.11 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 120.914 0.387 . . . . 74.31 110.887 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.13 88.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 115.556 -0.747 . . . . 71.33 110.639 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.787 ' HD3' HD13 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -71.9 -40.98 68.48 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 123.442 0.463 . . . . 72.42 111.413 -177.616 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.454 ' HB ' HD12 ' B' ' 136' ' ' ILE . 27.8 pt -66.3 -39.37 84.03 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 CA-C-N 118.004 0.366 . . . . 52.5 110.068 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.87 -47.02 73.18 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.585 0.354 . . . . 71.45 111.451 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.28 -52.47 53.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.093 0.957 . . . . 62.14 111.153 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' B' ' 134' ' ' GLU . 75.9 mmtt -82.16 -56.75 3.74 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.761 -1.109 . . . . 71.12 110.521 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 134' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' B' ' 133' ' ' LYS . 55.1 mt-10 -102.89 -4.89 24.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.84 -0.618 . . . . 73.43 111.457 -160.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.4 38.19 90.94 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.569 0.543 . . . . 45.42 113.656 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB ' ' B' ' 130' ' ' ILE . 67.5 mt -99.43 103.0 18.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.361 1.064 . . . . 53.54 108.915 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -72.94 109.82 2.9 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.871 2.38 . . . . 65.01 111.255 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.621 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.8 Cg_endo -57.2 -40.03 85.92 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.663 2.909 . . . . 62.24 114.04 -172.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.07 -39.17 75.79 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.262 -0.881 . . . . 62.25 110.747 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -77.99 -11.85 59.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.858 0.863 . . . . 75.42 110.824 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -110.57 171.27 7.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.997 0.519 . . . . 63.33 110.126 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.68 ' HB2' ' HB2' ' B' ' 170' ' ' LEU . 11.2 mmm180 -124.76 104.45 8.65 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.428 -1.693 . . . . 62.31 106.428 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.47 99.86 3.69 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.12 -1.437 . . . . 72.43 107.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.13 118.7 37.28 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.336 0.654 . . . . 52.22 109.38 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.593 ' HB2' HD21 ' B' ' 150' ' ' LEU . 57.2 t80 -110.94 101.99 10.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.443 0.697 . . . . 75.14 109.253 -176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.51 29.27 8.79 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.388 0.675 . . . . 71.31 112.509 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.45 60.17 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 115.078 0.791 . . . . 63.22 115.078 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -127.02 122.18 33.72 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.138 0.969 . . . . 54.41 109.799 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -76.01 147.56 38.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.569 0.348 . . . . 54.12 110.937 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.0 OUTLIER -91.77 124.03 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.097 0.559 . . . . 74.44 110.047 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.659 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 3.3 mp0 -79.6 133.75 36.44 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 107.288 -1.375 . . . . 75.34 107.288 167.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -58.7 -31.0 67.84 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.779 0.832 . . . . 75.05 112.83 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.02 -1.99 90.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.821 -0.627 . . . . 64.43 114.067 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.659 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 15.9 mmt85 -82.12 176.14 9.75 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 117.15 0.475 . . . . 65.4 110.116 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.4 m -105.74 162.25 13.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.918 0.887 . . . . 72.04 109.102 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.481 ' O ' HG12 ' B' ' 161' ' ' ILE . 4.1 mm? -64.49 -49.39 71.53 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 109.387 -0.597 . . . . 71.32 109.387 172.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.8 t -60.45 -24.43 65.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.28 0.632 . . . . 74.31 112.686 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.5 -38.04 58.68 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.733 0.813 . . . . 75.51 110.976 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -97.36 -10.04 26.32 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.029 -0.987 . . . . 62.14 111.791 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.77 64.58 1.27 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 122.129 0.966 . . . . 73.11 109.355 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.481 HG12 ' O ' ' B' ' 156' ' ' LEU . 11.7 mm -73.55 121.64 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 114.526 -1.215 . . . . 74.53 109.813 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.16 150.79 23.72 Favored 'General case' 0 C--O 1.25 1.131 0 CA-C-O 121.581 0.705 . . . . 71.52 110.122 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -62.68 129.43 40.51 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 115.887 -0.597 . . . . 63.35 109.64 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 69.51 33.1 3.2 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.476 1.11 . . . . 73.43 110.118 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.583 ' HB2' HG22 ' A' ' 3' ' ' ILE . 69.0 m -55.1 162.6 1.31 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.098 0.407 . . . . 55.45 112.098 161.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.12 133.36 46.59 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.489 0.716 . . . . 72.41 109.305 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' B' ' 145' ' ' PHE . 1.8 pt? -144.79 128.51 17.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.535 0.734 . . . . 71.01 110.752 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 34.3 pt -95.23 140.08 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 115.391 -0.822 . . . . 75.43 110.429 -172.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.448 HD11 HD13 ' B' ' 136' ' ' ILE . 78.3 mt -86.7 115.76 24.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.912 -1.04 . . . . 44.54 109.579 170.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 170' ' ' LEU . . . . . 0.68 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 84.1 mt -95.33 159.56 14.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.812 -1.181 . . . . 71.03 107.812 168.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.82 170.17 16.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.254 0.479 . . . . 72.14 110.333 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.487 1.399 0 C-N-CA 125.01 1.324 . . . . 54.24 112.72 171.813 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 111.98 0.363 . . . . 52.13 111.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.5 -63.13 1.2 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.298 1.439 . . . . 64.33 111.028 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -51.68 -39.07 57.6 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.895 1.372 . . . . 72.11 111.622 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 41.1 mtpt -68.46 -63.08 1.13 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.476 0.71 . . . . 73.2 111.035 -173.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.64 -42.7 97.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.22 -0.9 . . . . 73.21 111.17 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.52 -41.71 96.22 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.043 0.839 . . . . 74.21 110.126 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -57.79 -51.45 69.54 Favored 'General case' 0 C--N 1.368 1.413 0 O-C-N 123.59 0.556 . . . . 64.21 110.942 173.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 67.9 mt -60.52 -40.78 92.7 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.739 0.649 . . . . 64.42 110.976 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.63 -36.54 78.75 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.992 -1.004 . . . . 72.41 109.346 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -76.09 -36.78 58.79 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.122 0.969 . . . . 75.23 110.417 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.51 -43.01 99.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.122 0.969 . . . . 71.03 108.71 172.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.41 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 34.9 t-105 -67.46 -33.39 75.04 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.28 -1.327 . . . . 75.14 110.958 175.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -64.24 -36.35 83.79 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.89 0.476 . . . . 74.45 109.817 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -61.06 -61.42 2.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.782 0.433 . . . . 72.15 111.057 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.23 -31.63 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 72.23 111.575 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -74.15 -49.71 22.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.674 0.79 . . . . 73.12 109.503 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -67.55 -27.56 67.06 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 60.53 112.639 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 20.0 ptm -78.84 -59.53 2.74 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.264 -1.013 . . . . 71.22 108.264 172.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.864 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 16.4 mt -64.19 -16.3 61.66 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.096 1.147 . . . . 74.32 114.096 -172.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 763' ' ' THR . . . . . 0.536 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.1 t -68.11 -17.99 64.52 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.25 0.548 . . . . 75.15 111.848 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' B' ' 108' ' ' VAL . 2.2 p-10 -133.51 -44.83 0.82 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.99 0.916 . . . . 63.0 109.736 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.543 HD23 HD11 ' C' ' 768' ' ' LEU . 11.4 tp -80.18 57.15 2.64 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 126.675 1.99 . . . . 75.4 108.59 175.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' C' ' 766' ' ' GLU . 9.3 pt-20 -85.49 48.87 1.65 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.489 1.516 . . . . 74.53 112.612 -168.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 67.6 m -167.93 83.14 0.19 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.617 1.167 . . . . 62.11 108.827 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.543 HD11 HD23 ' C' ' 765' ' ' LEU . 90.1 mt -132.05 141.49 49.23 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.641 0.608 . . . . 64.34 112.641 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.3 m -78.18 147.46 34.49 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 115.528 -0.76 . . . . 61.1 109.164 166.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.429 HD11 HD12 ' C' ' 795' ' ' LEU . 20.4 tp -60.96 -31.42 70.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.919 0.888 . . . . 71.22 111.153 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.32 -52.55 61.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.87 0.868 . . . . 74.1 110.715 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -52.11 -56.66 13.09 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.367 1.042 . . . . 74.12 111.157 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.435 HD11 HD21 ' C' ' 799' ' ' LEU . 2.3 pp -75.55 -25.35 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.044 -0.98 . . . . 71.24 111.446 -171.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.571 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 37.4 t80 -62.95 -52.22 63.86 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.297 -0.631 . . . . 74.35 109.297 170.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.35 -38.28 86.39 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 124.023 0.827 . . . . 64.12 111.328 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 81.0 mtp -63.78 -56.0 18.86 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.842 0.457 . . . . 74.22 110.61 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.73 -29.47 66.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.05 0.54 . . . . 74.53 111.671 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.66 -43.51 80.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.108 0.963 . . . . 73.33 109.696 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tpt -58.3 -51.2 70.8 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.619 0.768 . . . . 65.13 110.747 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -70.61 -29.35 65.72 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.639 0.375 . . . . 74.21 111.85 -173.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 5.7 p -80.53 -32.81 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-O 119.621 -0.228 . . . . 72.11 110.527 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.32 -30.81 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 118.191 0.45 . . . . 71.14 110.676 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 22.5 p -77.26 -20.25 55.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.49 0.316 . . . . 75.42 111.796 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -124.05 97.35 0.55 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.469 -1.053 . . . . 54.43 110.469 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 8.28 0.22 Allowed 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.588 2.859 . . . . 73.22 115.378 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.7 65.03 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.938 1.295 . . . . 63.22 112.514 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 787' ' ' LEU . . . . . 0.451 HD21 HD21 ' C' ' 751' ' ' LEU . 5.2 mp -104.44 6.25 34.79 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 62.0 111.901 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.24 -77.24 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.069 . . . . 51.34 111.715 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.61 112.31 1.43 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.293 0.637 . . . . 75.45 109.486 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 11.8 pt -70.83 161.08 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.984 -0.448 . . . . 74.33 109.861 172.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -126.96 171.9 10.92 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.567 0.747 . . . . 61.22 109.013 -173.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.37 -38.46 71.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.832 0.853 . . . . 74.22 111.938 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -33.01 72.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.012 0.525 . . . . 72.34 111.71 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -77.77 -37.89 47.97 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.648 0.779 . . . . 73.12 109.922 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.571 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -71.35 -50.65 30.13 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.585 1.154 . . . . 70.54 109.394 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -58.34 -40.35 81.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.592 1.157 . . . . 72.32 110.402 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -56.44 -43.73 90.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.25 0.969 . . . . 62.03 113.07 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.3 t80 -62.38 -46.72 87.34 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.366 0.666 . . . . 73.02 110.598 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.435 HD21 HD11 ' C' ' 773' ' ' ILE . 3.9 mm? -65.75 -47.47 75.12 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.523 -0.762 . . . . 74.33 112.461 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.04 -32.89 74.83 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.717 -0.475 . . . . 64.43 109.717 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -56.15 -61.71 2.21 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 123.879 0.737 . . . . 70.33 109.737 167.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.465 ' HD2' ' HG2' ' C' ' 807' ' ' GLN . 74.9 mmtt -55.42 -38.2 68.64 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.286 0.847 . . . . 71.54 113.286 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.61 -47.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 109.717 -0.475 . . . . 75.05 109.717 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.35 -8.92 58.99 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.927 -0.579 . . . . 74.21 112.419 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.55 -2.75 55.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.023 0.929 . . . . 73.22 111.327 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 67.28 13.68 9.46 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 125.583 1.553 . . . . 65.32 111.9 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 807' ' ' GLN . . . . . 0.465 ' HG2' ' HD2' ' C' ' 802' ' ' LYS . 6.2 tp-100 -83.26 -25.91 31.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.803 1.241 . . . . 41.22 110.59 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.77 142.13 51.09 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.95 0.9 . . . . 50.43 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.64 139.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.227 1.011 . . . . 72.14 109.19 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.96 114.61 27.16 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 124.738 1.215 . . . . 74.21 108.987 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 36.3 t -91.78 -145.41 0.2 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.27 -1.011 . . . . 71.52 108.27 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.08 76.5 0.94 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.548 0.613 . . . . 73.14 110.897 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.21 14.5 81.83 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 115.482 -0.781 . . . . 62.24 113.667 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.0 146.56 31.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 122.909 0.484 . . . . 62.35 110.48 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -100.52 149.65 23.48 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 123.736 0.814 . . . . 55.15 110.82 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.573 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.0 OUTLIER -156.75 135.91 11.99 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.353 -0.84 . . . . 75.1 108.783 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.864 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 9.0 tp -73.99 118.77 72.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-O 118.879 -0.582 . . . . 63.42 110.022 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.381 2.283 0 C-N-CA 122.699 2.266 . . . . 61.41 111.01 176.644 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.132 -0.387 . . . . 51.14 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.78 153.08 35.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.433 0.693 . . . . 73.31 109.215 -175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -110.95 126.32 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.301 -1.0 . . . . 63.21 108.301 -173.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -118.45 157.2 20.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 121.559 0.695 . . . . 74.22 110.129 -170.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.2 m-85 -105.76 118.49 36.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.598 -1.183 . . . . 71.21 108.51 177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG23 HD21 ' B' ' 115' ' ' LEU . 65.5 t -100.31 91.65 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.81 -1.552 . . . . 75.42 106.81 173.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' B' ' 112' ' ' THR . 23.0 t0 -93.9 102.64 14.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.486 -1.234 . . . . 71.15 109.11 -174.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -90.26 133.84 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.856 0.36 . . . . 73.11 110.575 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -92.99 131.12 40.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 108.754 -0.832 . . . . 63.32 108.754 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.79 111.47 8.71 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.06 -1.829 . . . . 61.0 106.06 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.65 ' HE1' HG22 ' B' ' 108' ' ' VAL . 0.0 OUTLIER -81.15 104.19 11.46 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.62 -1.252 . . . . 74.15 107.62 177.724 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -106.8 109.02 20.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.988 0.915 . . . . 72.44 110.142 -168.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -78.13 113.79 16.4 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 109.515 -0.55 . . . . 72.13 109.515 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 41.3 mm -94.47 145.9 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 124.193 0.997 . . . . 71.42 109.747 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.1 m -108.97 128.23 54.76 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.051 -0.722 . . . . 70.31 109.051 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.676 HD23 ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -147.84 147.46 29.82 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.558 0.743 . . . . 73.45 109.706 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 40.3 tt0 -92.05 147.33 23.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.952 0.406 . . . . 65.34 110.05 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -150.28 170.81 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 125.543 1.537 . . . . 64.31 107.791 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -127.11 149.81 70.45 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.574 -0.704 . . . . 62.04 110.397 -174.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.96 -23.72 46.63 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.237 1.958 . . . . 73.11 112.924 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 m -77.28 -21.41 53.66 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.821 0.7 . . . . 71.24 112.359 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.52 158.21 15.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.761 0.255 . . . . 54.24 110.899 -172.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -78.02 162.72 26.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 63.12 111.399 176.197 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 50' ' ' LEU . 32.7 mm -59.55 -26.7 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.193 0.997 . . . . 61.42 110.87 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.87 -22.23 47.09 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.234 -0.894 . . . . 65.22 112.234 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.39 -50.77 50.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.69 0.796 . . . . 74.4 110.781 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.82 -48.27 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.614 -0.884 . . . . 74.31 108.614 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.71 -54.89 16.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.703 -1.589 . . . . 73.41 111.557 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.89 74.07 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.269 -0.878 . . . . 64.52 111.675 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HD2' HD23 ' A' ' 15' ' ' LEU . 16.6 ptpt -76.71 -39.99 50.17 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 123.351 0.407 . . . . 75.35 111.601 -176.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.614 ' HB ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -67.68 -37.87 79.39 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 109.403 -0.591 . . . . 74.04 109.403 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -63.43 -47.1 83.33 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.879 -1.055 . . . . 71.44 111.239 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.93 -51.33 33.8 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.826 0.85 . . . . 65.34 110.933 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -77.37 -36.91 53.13 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.01 -0.995 . . . . 73.32 112.567 -171.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.51 -0.98 8.61 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.836 1.05 . . . . 72.43 113.836 -173.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.09 28.69 72.66 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 121.777 -0.249 . . . . 74.12 113.165 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.614 HD12 ' HB ' ' A' ' 30' ' ' ILE . 46.2 mt -80.44 111.71 25.01 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 108.722 -0.844 . . . . 71.24 108.722 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.75 104.2 1.83 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.04 2.493 . . . . 73.41 112.676 -170.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.78 -31.47 20.37 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.611 2.207 . . . . 53.52 114.235 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.53 -24.09 67.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.069 0.548 . . . . 63.52 110.176 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.33 0.02 19.31 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.2 1.0 . . . . 74.24 111.176 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -118.97 106.83 12.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.113 0.965 . . . . 74.52 109.748 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 70' ' ' LEU . 13.8 ptm180 -80.07 105.46 11.36 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.269 0.557 . . . . 72.21 109.637 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.8 mp -79.99 138.06 36.97 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.139 -0.689 . . . . 62.05 109.139 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -138.26 146.93 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 108.966 -0.753 . . . . 74.35 108.966 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.81 97.95 4.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.848 1.259 . . . . 74.02 108.575 -177.12 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.06 30.99 17.26 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.526 0.73 . . . . 72.12 112.244 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.44 17.01 40.9 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 114.798 -1.092 . . . . 63.3 114.568 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -119.0 112.87 20.12 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 117.759 0.779 . . . . 74.14 109.288 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -70.68 133.87 47.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.069 0.548 . . . . 74.1 110.077 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.625 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 mt -94.26 117.36 30.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.172 0.589 . . . . 63.31 111.45 -171.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -104.55 129.3 52.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.391 1.076 . . . . 74.1 108.739 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 39.9 m-20 -56.53 -36.3 69.07 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.521 1.129 . . . . 75.42 113.772 -168.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.35 -14.69 77.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 123.57 0.544 . . . . 75.24 113.751 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 37.0 ttm180 -92.99 165.4 12.88 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.218 1.007 . . . . 73.32 108.393 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 10.0 m -103.77 157.69 16.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.916 0.486 . . . . 73.03 111.566 -167.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 23' ' ' ILE . 4.0 mm? -61.49 -45.82 92.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.412 1.085 . . . . 75.5 110.582 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 t -68.04 -24.07 65.04 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.517 0.562 . . . . 75.42 112.517 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.61 -31.99 71.13 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.002 0.521 . . . . 55.02 111.016 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 95.6 m-85 -97.36 -10.74 25.0 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.765 0.426 . . . . 63.44 110.626 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 60.43 64.27 1.23 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.397 1.079 . . . . 74.03 110.133 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.9 mp -68.49 101.19 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 108.405 -0.961 . . . . 73.21 108.405 169.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.1 166.91 21.03 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.685 -1.143 . . . . 74.44 109.606 168.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -73.66 150.24 41.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.94 0.496 . . . . 63.13 110.651 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 55.0 24.07 5.64 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.069 2.148 . . . . 75.45 113.209 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 t -78.65 152.22 31.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.092 0.557 . . . . 74.33 110.246 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.7 106.91 17.56 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.573 0.701 . . . . 61.05 111.968 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.7 tt -90.17 149.18 22.54 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.856 -1.535 . . . . 65.13 106.856 169.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.0 tt -135.8 128.3 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.092 0.557 . . . . 52.14 109.808 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.494 ' HG ' ' HG ' ' A' ' 43' ' ' LEU . 6.1 mp -97.48 113.58 25.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.949 0.9 . . . . 72.43 108.961 176.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . 2.2 mm? -95.59 141.0 29.61 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.8 -1.555 . . . . 62.12 106.8 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' HB3' HD21 ' C' ' 764' ' ' ASN . 30.9 tp -73.49 167.42 21.34 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.447 0.567 . . . . 73.4 109.597 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -51.11 97.67 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.097 0.959 . . . . 72.5 110.684 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.65 -68.99 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 113.63 -1.623 . . . . 73.54 108.372 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.3 mmp_? . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.048 1.339 . . . . 75.15 108.113 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.923 -0.471 . . . . 52.33 111.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.54 142.91 33.79 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.144 0.577 . . . . 64.22 109.695 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 4.0 pm0 -114.74 122.98 48.08 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.117 -0.697 . . . . 73.1 109.117 -174.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.414 HG21 HG23 ' A' ' 61' ' ' ILE . 27.7 pt -119.21 179.02 2.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 124.537 1.135 . . . . 70.43 110.409 -169.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 39.7 m-85 -116.68 117.78 30.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.113 -0.949 . . . . 72.25 109.528 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 15' ' ' LEU . 35.1 m -107.91 107.58 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 108.744 -0.836 . . . . 62.21 108.744 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.79 117.44 17.54 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.1 t -117.06 147.3 42.49 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.148 0.979 . . . . 75.03 109.699 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.65 HG22 ' HE1' ' A' ' 10' ' ' TRP . 21.2 t -89.1 107.12 17.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 107.593 -1.262 . . . . 54.12 107.593 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.0 140.87 35.71 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.464 -0.939 . . . . 42.51 108.464 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -125.46 143.33 51.04 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.863 0.865 . . . . 73.42 109.032 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.52 103.06 7.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.994 -1.113 . . . . 75.14 107.994 169.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 6.7 m -84.24 112.46 20.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.576 -0.527 . . . . 74.14 109.576 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 49.9 mt -90.46 154.12 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.329 -1.36 . . . . 75.33 107.329 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 61.9 m -137.08 111.28 8.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 75.34 108.316 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.413 HD21 HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -126.46 163.75 22.66 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.06 -0.719 . . . . 71.44 109.06 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.0 tt0 -106.16 140.18 39.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.068 -1.086 . . . . 63.31 108.068 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.0 p -144.51 160.98 14.74 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 123.62 0.768 . . . . 64.21 109.221 -174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 74.9 mm-40 -103.15 141.61 22.84 Favored Pre-proline 0 N--CA 1.468 0.466 0 C-N-CA 123.217 0.607 . . . . 63.03 110.196 -176.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.93 -27.53 50.81 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.69 2.26 . . . . 75.1 111.701 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 54.9 p -81.38 -17.6 48.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.275 1.03 . . . . 65.24 112.158 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 118' ' ' GLU . 5.2 t70 -85.06 158.68 20.38 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.804 -0.813 . . . . 73.21 108.804 -174.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -85.45 163.56 18.4 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.395 0.678 . . . . 72.34 111.973 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 150' ' ' LEU . 29.1 mm -66.54 -18.36 24.01 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 C-N-CA 124.866 1.267 . . . . 62.02 110.663 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 9.8 pt-20 -56.9 -25.09 56.4 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.453 -0.794 . . . . 52.24 110.576 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 10.3 t-20 -54.99 -58.46 7.53 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.673 1.189 . . . . 71.51 109.957 170.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.49 -44.34 98.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 124.543 1.137 . . . . 75.11 111.124 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.552 ' HG2' ' HA ' ' B' ' 124' ' ' GLU . 59.4 pttt -65.27 -38.7 91.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 116.013 -0.54 . . . . 44.02 109.905 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.51 61.86 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 116.075 -0.511 . . . . 72.05 110.555 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.6 mmtt -67.42 -59.88 3.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 109.253 -0.647 . . . . 71.45 109.253 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 19.7 pt -58.73 -36.78 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 123.252 0.345 . . . . 74.25 111.476 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -68.96 -40.09 79.09 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.637 0.775 . . . . 64.43 112.063 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -70.21 -50.4 40.34 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.692 0.758 . . . . 72.22 110.619 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.95 -50.61 10.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.781 -1.554 . . . . 73.33 111.609 -165.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' B' ' 136' ' ' ILE . 12.6 pt-20 -125.93 5.2 7.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 113.326 0.862 . . . . 71.11 113.326 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.65 63.84 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 114.776 0.67 . . . . 42.0 114.776 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.547 HG13 ' HG3' ' B' ' 134' ' ' GLU . 58.8 mt -78.84 112.05 24.32 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.423 -0.954 . . . . 64.53 108.423 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -67.12 135.46 37.4 Favored 'Trans proline' 0 CA--C 1.564 1.998 0 C-N-CA 122.571 2.181 . . . . 74.24 111.194 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.9 -51.54 2.88 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 124.055 3.17 . . . . 70.24 115.069 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.11 -27.93 66.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.301 0.64 . . . . 52.22 110.008 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -85.46 12.82 7.67 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.96 1.304 . . . . 70.25 110.635 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -138.63 146.69 42.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.218 -0.66 . . . . 74.11 109.218 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -119.59 106.17 11.92 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.669 -0.863 . . . . 72.22 108.669 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 57.5 tp -82.66 130.67 35.16 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.373 0.669 . . . . 73.44 109.784 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' B' ' 168' ' ' ILE . 10.7 t70 -118.99 145.0 46.19 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.782 1.233 . . . . 72.15 108.751 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.502 ' HB2' HD21 ' B' ' 150' ' ' LEU . 25.0 t80 -139.17 102.36 4.49 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.389 -0.967 . . . . 33.21 108.389 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.77 24.49 4.43 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.333 1.053 . . . . 72.34 113.062 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.39 32.26 7.47 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 120.04 -0.311 . . . . 32.22 113.805 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -122.32 131.4 53.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.675 0.79 . . . . 71.51 109.132 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.12 112.19 18.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.306 -1.368 . . . . 71.55 107.306 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.644 ' HB3' HG21 ' B' ' 123' ' ' ILE . 3.0 mm? -73.08 89.47 1.48 Allowed 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.199 -0.667 . . . . 70.41 109.199 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.35 119.7 9.58 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.962 -1.017 . . . . 74.44 108.547 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.571 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.4 p-10 -63.6 -20.76 65.92 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.86 0.864 . . . . 73.12 112.512 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -87.04 -4.28 81.95 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 115.693 -0.685 . . . . 54.0 113.841 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.48 167.84 10.91 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.598 -0.89 . . . . 74.12 108.598 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 92.3 m -100.91 156.92 17.11 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.229 1.012 . . . . 55.25 109.901 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.554 HD22 HD13 ' B' ' 123' ' ' ILE . 3.6 mm? -56.9 -40.61 76.58 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.783 0.833 . . . . 74.24 109.923 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.482 ' H ' HG22 ' B' ' 155' ' ' THR . 42.8 t -60.26 -32.08 70.83 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.308 0.855 . . . . 75.41 113.308 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.78 -28.27 65.79 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.519 0.599 . . . . 53.32 111.331 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -106.43 1.32 25.52 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.777 0.831 . . . . 71.31 110.68 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 65.9 t30 48.88 51.91 15.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.967 1.307 . . . . 62.44 111.007 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.09 119.95 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 114.568 -1.196 . . . . 72.22 109.661 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.38 171.0 7.85 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-O 121.715 0.769 . . . . 63.02 110.716 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.6 139.58 58.45 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.548 -0.751 . . . . 75.02 109.653 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 63.91 23.49 13.37 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 113.649 -1.614 . . . . 71.22 112.353 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.4 m -62.47 117.12 5.76 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-N 118.527 0.603 . . . . 52.21 110.114 166.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.39 109.1 21.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.448 0.699 . . . . 63.03 109.497 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.93 138.95 38.22 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.399 1.08 . . . . 53.13 108.194 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.565 HG23 ' HB3' ' B' ' 144' ' ' ASP . 4.9 tt -95.38 111.75 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.271 0.558 . . . . 72.3 109.675 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 10.1 tt -89.86 125.03 35.19 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.657 -0.497 . . . . 63.4 109.657 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 160.09 15.36 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.935 0.894 . . . . 72.22 109.069 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.85 178.17 3.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.931 . . . . 64.33 110.816 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.487 1.388 0 C-N-CA 124.393 1.077 . . . . 74.33 112.917 172.867 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 119.855 -0.116 . . . . 72.12 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.84 -46.9 82.96 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.21 0.944 . . . . 75.45 110.745 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -60.34 -56.21 24.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.261 -0.881 . . . . 73.51 110.9 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.479 ' HA ' HD21 ' C' ' 787' ' ' LEU . 13.2 ptpt -66.21 -39.28 89.5 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 114.609 -1.178 . . . . 74.24 111.904 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -53.16 -50.91 63.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.493 0.717 . . . . 72.41 111.001 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.9 -43.84 82.36 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.455 0.702 . . . . 73.13 111.86 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -49.16 78.69 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.894 0.746 . . . . 63.1 110.6 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.47 -42.6 96.57 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.691 1.196 . . . . 72.33 110.989 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -71.2 -34.66 71.08 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 123.764 0.665 . . . . 65.33 109.238 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -43.36 85.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.633 0.773 . . . . 73.01 109.732 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -65.59 -33.79 76.74 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 114.971 -1.013 . . . . 74.12 110.37 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -76.3 -31.08 58.02 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.038 -0.528 . . . . 72.12 110.402 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 92.0 m -69.22 -31.72 70.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.127 -0.694 . . . . 54.2 109.127 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' C' ' 761' ' ' MET . 14.0 m-85 -63.82 -64.8 0.79 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.71 0.804 . . . . 74.12 110.427 170.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 73.9 mt -57.36 -44.69 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.636 0.774 . . . . 52.32 111.424 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -65.38 -51.72 58.5 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.238 0.615 . . . . 71.12 109.742 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -71.32 -26.19 62.74 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.886 0.741 . . . . 75.05 112.451 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' C' ' 757' ' ' TYR . 26.7 ptm -80.34 -35.98 34.79 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 110.212 -0.292 . . . . 63.44 110.212 172.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.4 -11.74 60.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.267 0.627 . . . . 75.13 110.892 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 93.1 m -66.26 -17.73 64.92 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.486 0.714 . . . . 63.25 110.447 170.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.621 ' HB2' HD12 ' C' ' 765' ' ' LEU . 7.2 m120 -118.24 -55.42 2.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.537 1.135 . . . . 62.22 109.259 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' C' ' 764' ' ' ASN . 4.3 mp -91.65 61.96 4.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.15 1.38 . . . . 73.43 107.542 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.443 ' HG3' HH12 ' C' ' 816' ' ' ARG . 8.2 pt-20 -68.19 17.07 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.361 1.985 . . . . 73.13 116.361 -165.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 68.3 m -158.86 88.84 0.92 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.936 0.895 . . . . 53.51 109.588 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.08 147.45 52.44 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.075 0.55 . . . . 71.21 111.182 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 769' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 34.8 t -65.42 162.27 18.13 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.25 1.02 . . . . 75.02 110.814 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.98 -31.48 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.466 -0.938 . . . . 74.04 108.466 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -46.56 -54.7 8.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.741 1.216 . . . . 75.23 112.842 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' C' ' 776' ' ' MET . 3.2 mpt_? -60.77 -58.46 8.38 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.673 0.608 . . . . 63.13 109.896 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.09 -23.08 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 CA-C-N 114.292 -1.322 . . . . 73.1 111.948 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.654 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 54.9 t80 -67.34 -51.59 50.46 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 109.054 -0.721 . . . . 70.11 109.054 171.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -62.23 -34.47 76.56 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.063 0.852 . . . . 64.05 110.544 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 776' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 82.1 mmm -60.74 -61.71 2.39 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.999 0.812 . . . . 75.15 109.579 172.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.82 -34.79 65.68 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.209 -0.905 . . . . 72.21 112.846 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.453 ' HA ' HG12 ' C' ' 781' ' ' VAL . 14.4 tpt180 -69.28 -47.76 63.65 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.185 0.928 . . . . 54.01 108.836 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -53.8 17.36 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.051 0.844 . . . . 74.42 110.24 171.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -72.35 -26.22 61.84 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.509 0.559 . . . . 63.33 112.509 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' C' ' 778' ' ' ARG . 2.5 p -85.66 -25.61 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 117.782 0.264 . . . . 74.01 111.024 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 19.7 m -90.61 -24.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 N-CA-C 112.123 0.416 . . . . 73.11 112.123 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.9 p -68.3 -19.35 64.68 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 120.763 0.316 . . . . 62.51 111.774 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.83 173.44 18.29 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.405 -0.816 . . . . 50.41 111.284 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.32 5.81 6.02 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 122.676 2.251 . . . . 55.42 111.545 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -43.0 114.2 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.551 1.94 . . . . 70.14 112.168 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 787' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' C' ' 747' ' ' LYS . 68.7 mt 66.38 9.23 6.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.669 1.187 . . . . 70.23 113.164 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.81 32.47 19.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.191 0.996 . . . . 51.12 111.165 -172.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 70.54 130.2 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.886 1.674 . . . . 73.42 111.62 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.434 ' H ' HG12 ' C' ' 790' ' ' ILE . 4.3 pt -92.44 170.94 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.658 1.183 . . . . 73.32 111.373 175.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -124.14 172.8 8.75 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.44 1.096 . . . . 71.53 109.492 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.05 -37.53 69.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.941 1.297 . . . . 73.21 111.903 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.12 -43.92 98.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.26 0.624 . . . . 73.53 110.966 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -69.29 -41.54 76.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.684 0.794 . . . . 74.12 110.052 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.654 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.12 -62.5 1.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.751 -1.113 . . . . 73.44 109.845 -179.51 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -60.59 -30.52 69.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.67 0.788 . . . . 75.52 110.94 -177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -67.57 -37.7 89.8 Favored Glycine 0 C--N 1.356 1.652 0 O-C-N 124.0 0.812 . . . . 41.02 112.532 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.61 -47.67 80.47 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 123.593 0.757 . . . . 61.54 109.988 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.19 -40.05 94.76 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 115.253 -0.885 . . . . 65.34 110.887 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 800' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.3 OUTLIER -57.47 -53.0 63.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.224 0.952 . . . . 72.51 110.334 179.11 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -50.06 -51.12 44.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.011 0.925 . . . . 71.31 110.743 172.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 1.9 mptp? -59.83 -33.32 71.61 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.628 0.58 . . . . 75.4 112.301 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.82 -43.29 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.748 0.419 . . . . 74.34 110.1 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 804' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 8.2 mmm180 -71.54 -24.42 61.94 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.903 0.481 . . . . 74.02 111.537 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.98 -4.4 59.13 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.658 1.183 . . . . 62.11 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.5 11.71 6.81 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 125.641 1.576 . . . . 75.34 111.49 -170.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.82 -28.96 60.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.346 1.058 . . . . 64.44 110.501 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.475 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 9.3 mt -135.78 142.23 44.89 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.837 1.255 . . . . 75.25 109.6 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.9 t -105.32 129.01 58.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 125.569 1.547 . . . . 65.2 108.26 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -93.09 108.68 20.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.093 -1.077 . . . . 71.5 108.093 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.516 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.0 t -88.29 -149.52 0.17 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.896 -1.15 . . . . 72.31 107.896 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.52 77.33 0.57 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.942 0.792 . . . . 75.25 110.695 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.03 21.04 76.79 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-N 115.597 -0.729 . . . . 61.11 113.548 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' C' ' 811' ' ' SER . 4.6 m -131.62 159.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 123.245 0.618 . . . . 73.35 109.973 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 815' ' ' TYR . . . . . 0.462 ' HB3' HD22 ' C' ' 808' ' ' LEU . 67.9 m-85 -108.9 136.72 47.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.31 1.044 . . . . 74.33 110.928 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.443 HH12 ' HG3' ' C' ' 766' ' ' GLU . 17.5 ttt85 -136.88 135.82 38.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.205 1.002 . . . . 74.12 110.014 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.53 128.79 71.2 Favored Pre-proline 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 62.41 110.148 173.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--N 1.374 1.918 0 C-N-CA 122.366 2.044 . . . . 64.14 110.046 159.787 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 110.99 -0.844 . . . . 63.53 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.14 151.08 27.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.697 0.799 . . . . 75.43 109.653 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -85.93 150.71 24.31 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.088 -1.079 . . . . 73.42 108.088 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.28 158.7 43.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 CA-C-O 121.114 0.483 . . . . 74.44 110.513 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.81 105.41 11.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.924 -1.035 . . . . 74.31 108.903 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 95.0 t -88.76 95.24 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 108.397 -0.964 . . . . 51.31 108.397 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB3' ' CH2' ' B' ' 110' ' ' TRP . 18.1 m-20 -76.71 100.74 5.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.212 1.405 . . . . 72.12 111.698 -172.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.502 ' OG1' ' HG3' ' B' ' 111' ' ' LYS . 0.7 OUTLIER -101.12 119.56 38.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.58 1.152 . . . . 74.25 109.757 -174.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.54 136.85 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.479 0.711 . . . . 74.1 109.58 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 44.7 mt-30 -122.77 82.04 1.94 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.858 0.463 . . . . 70.04 109.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' C' ' 765' ' ' LEU . 20.0 t-105 -98.59 117.02 32.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 74.35 108.133 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -162.78 132.3 4.31 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.646 0.592 . . . . 74.14 111.195 -166.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 0.6 OUTLIER -75.73 137.97 40.96 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.238 -0.653 . . . . 71.24 109.238 168.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mm -114.03 120.6 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.322 -1.362 . . . . 70.13 107.322 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.3 m -87.76 122.05 30.94 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.279 0.491 . . . . 51.11 110.099 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD21 HG13 ' B' ' 105' ' ' VAL . 1.3 pt? -136.51 166.47 23.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.209 1.003 . . . . 72.33 109.203 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 2.7 mp0 -103.78 151.7 22.74 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.877 -0.786 . . . . 71.35 108.877 168.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -148.99 155.99 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.67 -0.696 . . . . 75.54 110.2 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.39 144.35 28.64 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.175 0.99 . . . . 62.34 110.357 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -65.46 -34.42 43.2 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.411 2.074 . . . . 75.12 111.134 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -75.84 -10.04 59.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.329 1.051 . . . . 73.13 112.057 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 163.84 19.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.638 0.775 . . . . 75.43 110.377 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -94.4 159.94 14.88 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.383 0.611 . . . . 74.2 110.839 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.494 HD13 HD22 ' A' ' 56' ' ' LEU . 26.5 mm -63.9 -27.18 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 124.81 1.244 . . . . 74.45 110.413 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.33 -21.8 66.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.372 1.069 . . . . 73.14 111.243 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -73.92 -37.74 64.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.482 -0.562 . . . . 65.12 109.482 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 61.8 t -65.89 -45.17 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.123 -0.695 . . . . 74.42 109.123 173.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -56.83 -45.37 82.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.253 1.021 . . . . 60.02 110.6 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.56 -34.89 65.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.653 0.381 . . . . 44.42 111.569 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 17.3 ptmt -74.97 -35.28 62.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.579 0.352 . . . . 74.14 110.92 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.434 HD11 ' OE1' ' A' ' 41' ' ' GLN . 18.4 pt -75.49 -27.24 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.207 0.458 . . . . 74.03 110.245 172.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.327 0.584 . . . . 74.51 110.377 171.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.64 -48.79 36.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.241 -0.89 . . . . 73.24 110.657 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 -60.87 1.89 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.525 -0.762 . . . . 73.15 111.507 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -78.66 -30.73 46.44 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.439 0.696 . . . . 75.31 110.601 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.92 15.83 50.58 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.894 -0.593 . . . . 73.41 113.123 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -73.24 114.85 35.15 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.785 0.834 . . . . 73.15 111.546 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.77 139.15 33.09 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.366 2.044 . . . . 53.11 110.359 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -54.62 -30.12 64.16 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.39 2.726 . . . . 74.13 113.152 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.74 -46.61 88.86 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.825 -1.08 . . . . 72.24 110.664 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -83.85 -13.48 53.56 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.179 -0.919 . . . . 52.12 111.74 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' HD11 ' A' ' 30' ' ' ILE . 17.7 tt0 -81.65 133.7 35.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.373 1.469 . . . . 53.3 110.804 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 66.9 mtp180 -129.41 87.88 2.61 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 106.741 -1.577 . . . . 61.25 106.741 167.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.97 116.58 15.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.627 0.771 . . . . 74.23 110.279 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 68' ' ' ILE . 5.0 mm -111.14 135.98 48.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 122.976 0.51 . . . . 62.24 109.655 175.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.83 103.93 7.33 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.864 -1.162 . . . . 74.43 107.864 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.47 7.28 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 124.141 0.901 . . . . 65.01 112.666 170.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.52 20.41 29.55 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.287 -0.415 . . . . 74.51 113.846 -174.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -125.06 136.21 53.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.596 1.159 . . . . 72.34 108.095 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -89.08 127.17 35.69 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 109.856 -0.424 . . . . 60.43 109.856 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -88.95 113.1 24.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.511 -0.768 . . . . 72.52 109.229 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 2.5 tm-20 -66.15 129.26 39.22 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.694 -0.854 . . . . 64.32 108.694 175.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.31 -51.76 51.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.028 1.331 . . . . 73.41 112.619 -168.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 18.18 56.66 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-O 119.804 -0.442 . . . . 73.01 113.903 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 33.7 ttt180 -93.65 174.97 6.92 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.109 -1.071 . . . . 70.45 108.109 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.4 m -108.35 149.63 28.43 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.824 1.193 . . . . 73.31 110.418 -170.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 61' ' ' ILE . 2.5 mm? -57.42 -42.81 83.07 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.588 0.755 . . . . 75.31 109.903 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 55' ' ' THR . 34.6 t -64.47 -30.79 71.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.224 1.01 . . . . 75.54 112.924 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.33 -36.72 73.81 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.09 0.471 . . . . 74.35 110.225 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.0 m-85 -88.66 -8.83 53.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.708 -0.678 . . . . 73.44 110.844 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 59.5 48.3 9.9 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 122.024 0.916 . . . . 52.32 109.074 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 56' ' ' LEU . 21.0 mt -66.38 111.08 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 114.929 -1.032 . . . . 71.31 111.027 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.79 178.88 7.97 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.456 -1.247 . . . . 73.21 110.731 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.69 164.46 23.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.78 -1.1 . . . . 75.42 111.43 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 48.02 30.83 2.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 126.482 1.913 . . . . 70.1 113.81 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB2' HG22 ' B' ' 103' ' ' ILE . 51.5 m -78.07 125.73 29.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.886 -0.597 . . . . 64.43 110.018 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.44 110.34 20.75 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.06 0.457 . . . . 60.35 110.142 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD23 HG12 ' B' ' 105' ' ' VAL . 0.5 OUTLIER -99.05 164.05 12.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.921 0.888 . . . . 61.34 108.697 175.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.573 ' HA ' ' HB3' ' B' ' 106' ' ' ASP . 4.5 tt -138.72 126.96 28.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 109.632 -0.507 . . . . 74.14 109.632 175.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HG22 ' B' ' 107' ' ' THR . 35.9 mt -96.68 120.0 36.19 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.41 -0.813 . . . . 70.0 108.98 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 44.1 mt -93.28 120.14 33.23 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.539 -1.652 . . . . 75.35 106.539 173.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.38 162.51 28.49 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.946 -0.761 . . . . 74.34 108.946 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -32.34 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.923 0.889 . . . . 65.53 112.519 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' C' ' 760' ' ' ALA . 11.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.343 -1.299 . . . . 63.3 110.189 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 118.698 -0.667 . . . . 65.33 110.597 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 112.056 -0.418 . . . . 73.44 112.056 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.9 -171.45 3.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.925 0.89 . . . . 73.13 109.75 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -136.11 152.95 51.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.303 1.041 . . . . 64.4 108.619 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 65' ' ' SER . 21.7 pt -142.57 165.02 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.955 0.502 . . . . 75.14 111.385 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -118.15 106.13 12.53 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.242 -1.022 . . . . 71.31 108.242 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -97.51 115.55 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 118.774 0.715 . . . . 72.4 109.249 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 68' ' ' ILE . 25.7 t70 -71.24 129.83 39.89 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.646 -0.501 . . . . 52.34 109.646 174.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 69' ' ' LEU . 73.4 p -130.29 133.91 46.82 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.803 1.241 . . . . 74.05 108.157 -176.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 4.1 p -125.49 119.57 55.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.491 0.662 . . . . 52.22 110.814 173.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -112.71 106.14 14.45 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.056 -0.975 . . . . 54.0 108.405 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 6' ' ' ASP . 71.9 t-105 -82.03 147.04 29.37 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.232 -0.655 . . . . 74.03 109.232 171.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HG3' ' OG1' ' A' ' 7' ' ' THR . 18.5 ptpt -158.87 147.99 18.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.259 -1.015 . . . . 73.13 108.259 171.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 56.6 m -118.96 123.37 44.42 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.662 -0.866 . . . . 72.23 108.662 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.432 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 32.0 mm -94.49 109.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 108.341 -0.985 . . . . 74.44 108.341 -177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.1 m -92.42 124.98 36.86 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.83 164.18 30.91 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 121.051 0.453 . . . . 43.33 111.016 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.07 143.82 27.53 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.524 -1.658 . . . . 63.44 106.524 170.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.08 163.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.194 0.452 . . . . 63.24 110.721 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.97 147.69 35.98 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.59 0.756 . . . . 64.42 109.489 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.07 -40.97 81.59 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 123.043 2.495 . . . . 73.02 112.787 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 22.8 m -79.91 -8.45 59.32 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.025 -0.534 . . . . 74.35 112.019 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.53 151.27 47.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.393 -0.595 . . . . 55.05 109.393 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.62 166.84 15.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.214 0.531 . . . . 71.52 110.175 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.672 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 29.4 mm -72.97 -21.22 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.791 -0.641 . . . . 64.54 110.352 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.6 pt-20 -58.82 -26.32 64.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 74.33 111.873 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 60.1 m-80 -64.26 -54.98 24.73 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.479 -0.563 . . . . 43.31 109.479 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.24 -41.09 88.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 123.761 0.824 . . . . 62.31 110.453 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.586 ' HB2' HE22 ' B' ' 141' ' ' GLN . 37.3 pttt -63.8 -41.28 97.95 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 115.807 -0.633 . . . . 61.41 109.798 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.9 -28.06 63.25 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 122.836 0.454 . . . . 72.25 110.913 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 8.9 mmpt? -67.14 -52.11 45.57 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.309 0.38 . . . . 75.54 110.525 176.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.502 HD11 ' NE2' ' B' ' 141' ' ' GLN . 2.7 pp -70.89 -29.26 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 122.988 0.18 . . . . 74.1 111.37 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.57 -39.82 84.91 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.736 0.414 . . . . 70.44 110.117 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.58 -52.24 27.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.408 0.683 . . . . 64.42 110.259 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -86.26 -51.06 6.5 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.537 -0.756 . . . . 74.11 111.774 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.7 -18.81 27.1 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.662 0.385 . . . . 51.03 111.285 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.52 72.6 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.932 -0.371 . . . . 75.42 113.589 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.09 118.69 73.44 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.61 0.764 . . . . 63.14 110.117 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.474 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 38.6 Cg_exo -61.76 125.68 17.21 Favored 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.146 2.564 . . . . 64.3 111.775 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 6.8 Cg_endo -48.77 -39.23 38.67 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 124.019 3.146 . . . . 75.23 114.538 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.67 -34.1 77.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.908 0.883 . . . . 74.12 111.292 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 22.8 mt-30 -103.97 17.46 24.06 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.664 0.785 . . . . 74.42 111.423 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.586 HE22 ' HB2' ' B' ' 127' ' ' LYS . 5.4 tt0 -102.54 110.33 22.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.821 1.248 . . . . 74.24 110.213 -175.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -94.85 81.32 3.76 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.312 0.645 . . . . 74.15 109.596 169.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 100.14 6.25 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.318 -1.364 . . . . 45.22 107.318 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.92 121.92 46.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.37 -0.604 . . . . 73.13 109.37 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 167' ' ' LEU . 65.2 t80 -109.36 104.94 14.13 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.274 1.03 . . . . 73.23 108.468 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.92 29.43 9.95 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.799 0.84 . . . . 70.12 113.166 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.74 17.81 37.17 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 114.425 0.53 . . . . 74.1 114.425 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.572 ' HE3' ' HD1' ' B' ' 159' ' ' TYR . 0.1 OUTLIER -142.71 123.31 14.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.282 0.633 . . . . 74.54 109.686 173.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.9 159.03 34.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.385 0.674 . . . . 64.53 111.935 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 43.3 mt -110.21 117.87 34.83 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.201 -0.909 . . . . 74.44 110.766 -175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.03 125.56 29.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.854 0.861 . . . . 43.42 109.292 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.672 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 7.2 p-10 -60.48 -34.0 73.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.435 0.694 . . . . 74.41 112.526 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -86.36 9.05 71.82 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.508 -0.607 . . . . 71.34 113.814 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' B' ' 159' ' ' TYR . 21.5 ttm-85 -110.47 162.55 14.57 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.012 0.906 . . . . 64.35 109.053 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 40.6 p -96.47 157.6 15.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.217 0.607 . . . . 74.31 111.482 -171.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 123' ' ' ILE . 2.9 mm? -57.96 -38.28 75.73 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.38 1.072 . . . . 63.32 109.836 174.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.5 t -61.95 -39.67 92.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.959 0.904 . . . . 52.24 112.134 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.45 -31.28 65.77 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.068 0.855 . . . . 70.03 111.163 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.572 ' HD1' ' HE3' ' B' ' 148' ' ' LYS . 91.5 m-85 -90.17 -12.59 37.72 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.713 -0.676 . . . . 62.14 111.474 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.97 52.54 2.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.079 1.419 . . . . 74.25 109.346 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.3 mm -68.44 114.16 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 113.536 -1.666 . . . . 64.24 110.082 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 162' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -85.08 156.2 21.18 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.529 0.68 . . . . 50.45 110.6 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.29 144.1 51.29 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 115.68 -0.691 . . . . 54.33 109.466 170.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 50.2 29.03 3.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.127 1.371 . . . . 73.12 112.824 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 78.4 p -62.51 127.07 29.59 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 110.458 -0.201 . . . . 71.3 110.458 167.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.55 128.29 37.32 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 109.381 -0.6 . . . . 75.24 109.381 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 145' ' ' PHE . 1.3 pt? -144.63 126.35 15.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.7 0.8 . . . . 73.12 109.511 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 12.6 pt -95.25 128.98 46.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.866 0.841 . . . . 73.1 110.129 -166.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.581 HD11 ' HG3' ' B' ' 141' ' ' GLN . 34.0 tp -99.11 103.33 15.23 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.136 -0.938 . . . . 72.24 109.158 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.68 160.69 14.16 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.468 -1.242 . . . . 74.05 109.688 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.31 171.67 13.81 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.883 0.473 . . . . 61.52 110.035 171.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.445 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.7 t . . . . . 0 CA--C 1.568 1.663 0 N-CA-C 114.505 1.298 . . . . 75.22 114.505 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 119.112 -0.471 . . . . 62.3 112.065 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -52.4 -47.38 66.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.794 0.838 . . . . 75.31 111.822 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 30.9 mm-40 -55.13 -44.33 74.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.726 0.81 . . . . 75.42 110.849 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.49 -50.75 23.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.113 -1.403 . . . . 72.1 111.435 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.76 -31.53 72.8 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.763 0.664 . . . . 65.32 110.936 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.72 -33.6 68.86 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.531 0.519 . . . . 43.34 110.639 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 750' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 36.9 mm-40 -66.21 -39.82 89.9 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 109.736 -0.468 . . . . 63.44 109.736 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.54 -35.55 77.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.703 0.801 . . . . 65.42 110.826 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -72.22 -39.0 68.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.386 -0.968 . . . . 75.22 108.386 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 753' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' C' ' 756' ' ' THR . 0.6 OUTLIER -63.91 -38.69 92.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.198 0.599 . . . . 73.2 109.959 174.441 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.611 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 13.4 m-85 -66.77 -37.43 84.58 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.194 -0.669 . . . . 75.22 109.194 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -67.27 -33.8 76.08 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 123.867 0.729 . . . . 75.31 110.206 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 756' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' C' ' 753' ' ' LEU . 62.6 m -60.63 -43.58 97.36 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 122.924 0.49 . . . . 74.03 110.465 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.44 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 18.4 m-85 -65.65 -57.18 8.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.938 0.495 . . . . 75.03 111.442 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.445 HG13 ' O ' ' C' ' 754' ' ' PHE . 55.1 mt -61.47 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 124.343 1.027 . . . . 74.44 110.237 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -59.78 -41.84 92.01 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.693 0.621 . . . . 73.24 110.521 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.537 ' HA ' HD13 ' A' ' 73' ' ' LEU . . . -74.61 -36.27 62.95 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.868 0.73 . . . . 65.31 112.163 -176.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.73 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.8 ppp? -77.96 -28.93 49.56 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.737 -0.21 . . . . 73.33 110.477 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.73 HD22 ' SD ' ' C' ' 761' ' ' MET . 3.9 mm? -79.78 -25.0 41.09 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.634 1.174 . . . . 70.43 110.429 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 1.3 m -61.94 -17.67 57.65 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.967 0.907 . . . . 75.1 111.234 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -111.02 -51.05 2.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.639 0.776 . . . . 71.31 109.149 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 10' ' ' TRP . 7.3 mp -97.71 61.86 1.62 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.225 1.01 . . . . 64.41 111.333 -176.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.97 70.22 8.84 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.729 -0.607 . . . . 62.34 110.992 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 10.3 m 173.72 92.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.244 2.217 . . . . 73.15 108.195 176.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.446 HD11 HD21 ' C' ' 762' ' ' LEU . 2.8 pp -162.11 146.83 12.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.724 0.773 . . . . 62.32 112.689 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.3 t -72.16 157.43 37.77 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-N 114.931 -1.031 . . . . 72.5 110.401 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.624 HD11 HD12 ' C' ' 795' ' ' LEU . 13.9 tp -55.73 -25.86 42.53 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.789 -1.096 . . . . 71.42 112.094 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.79 -53.84 46.63 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.842 0.857 . . . . 75.54 112.047 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -60.41 -52.19 66.3 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.536 0.734 . . . . 75.13 111.415 -174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.544 HD12 HD21 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -67.09 -39.14 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 115.021 -0.991 . . . . 42.05 110.695 -177.102 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.546 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 22.0 t80 -56.18 -49.82 72.94 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.593 -0.521 . . . . 72.1 109.593 173.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 124.254 0.971 . . . . 70.13 111.404 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 80.1 mtp -63.62 -58.2 7.68 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.347 0.404 . . . . 64.44 110.835 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.409 HD11 HD11 ' C' ' 758' ' ' ILE . 9.4 mp -58.3 -34.93 71.1 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.845 0.458 . . . . 74.32 110.736 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -69.81 -37.86 76.4 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 124.581 1.152 . . . . 71.32 110.472 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.44 -57.41 13.04 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.042 0.937 . . . . 61.13 110.573 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 780' ' ' PHE . . . . . 0.611 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 57.9 m-85 -65.46 -27.93 68.85 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 111.49 0.182 . . . . 73.14 111.49 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.623 ' HA ' ' HB3' ' C' ' 786' ' ' ALA . 1.6 t -69.3 -44.61 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.331 0.652 . . . . 73.52 111.375 172.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.79 -20.64 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 120.703 0.287 . . . . 65.03 111.225 -168.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 18.8 p -75.6 -20.09 58.81 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.572 0.582 . . . . 73.34 112.572 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -144.73 -163.14 9.88 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-O 119.93 -0.372 . . . . 73.3 113.071 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -84.51 4.45 6.88 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 122.91 2.407 . . . . 64.01 113.159 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.63 106.07 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.94 1.296 . . . . 74.21 112.148 -174.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 84.2 mt 68.97 -0.52 2.39 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.346 1.458 . . . . 73.24 113.776 174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 53.7 43.69 30.72 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.605 0.762 . . . . 75.33 111.747 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 789' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' C' ' 781' ' ' VAL . 1.3 mp0 75.3 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.102 1.761 . . . . 52.12 113.364 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.563 HG12 HG21 ' C' ' 781' ' ' VAL . 16.7 pt -108.42 155.27 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.635 1.174 . . . . 63.2 109.527 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 791' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' C' ' 795' ' ' LEU . 9.8 p-10 -124.87 -171.38 2.34 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.981 0.912 . . . . 63.31 109.709 -169.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.97 -47.76 21.8 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.319 1.012 . . . . 61.2 111.46 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.61 -59.5 5.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.284 0.99 . . . . 74.31 111.795 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.91 -36.32 83.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.086 0.554 . . . . 75.05 112.062 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.624 HD12 HD11 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -64.72 -50.45 66.87 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.684 0.794 . . . . 71.53 109.732 177.438 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.99 -41.77 83.73 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 114.613 -1.176 . . . . 55.13 111.111 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.29 96.28 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 124.311 1.007 . . . . 44.12 112.713 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.52 -54.39 47.54 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.541 0.736 . . . . 72.24 109.982 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.544 HD21 HD12 ' C' ' 773' ' ' ILE . 4.5 mm? -59.04 -45.74 89.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.484 -0.78 . . . . 75.45 111.124 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.22 -43.64 74.67 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.852 1.261 . . . . 73.35 110.078 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -54.46 30.97 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.101 0.876 . . . . 62.53 109.518 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -55.01 -37.62 66.85 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.933 0.716 . . . . 52.12 112.933 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 799' ' ' LEU . 74.0 t -65.88 -48.49 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.018 0.527 . . . . 71.32 109.925 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 804' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' C' ' 804' ' ' ARG . 55.1 mtt85 -74.51 -14.61 60.84 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.896 0.702 . . . . 72.44 112.896 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.47 1.1 55.48 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.468 1.107 . . . . 73.35 111.239 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 59.37 34.54 22.83 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.115 1.366 . . . . 74.22 110.689 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -118.25 0.25 11.68 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.151 1.38 . . . . 74.31 110.21 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.33 36.59 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.502 -1.296 . . . . 64.1 107.502 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 46.1 t -105.8 117.43 51.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 N-CA-C 108.654 -0.869 . . . . 60.32 108.654 168.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.12 107.3 19.13 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.349 -1.352 . . . . 73.22 107.349 170.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.548 ' HB2' HG13 ' C' ' 814' ' ' VAL . 19.6 m -83.36 -157.04 0.22 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.087 -0.708 . . . . 72.53 109.087 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.69 77.06 0.6 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 118.72 0.691 . . . . 42.31 111.375 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.39 18.31 79.86 Favored Glycine 0 C--N 1.359 1.82 0 CA-C-N 115.708 -0.678 . . . . 72.51 113.082 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' C' ' 811' ' ' SER . 7.2 p -138.46 137.82 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 109.122 -0.696 . . . . 74.14 109.122 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -97.88 143.21 28.71 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 122.779 0.432 . . . . 75.21 110.241 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.3 147.14 15.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.258 -0.883 . . . . 72.31 109.621 177.351 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.588 HD13 ' HG ' ' C' ' 762' ' ' LEU . 7.0 mp -84.05 144.94 45.24 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 122.374 -0.204 . . . . 34.31 111.53 176.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 C--N 1.37 1.692 0 C-N-CA 123.361 2.708 . . . . 74.53 113.156 172.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 110.983 -0.847 . . . . 54.15 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.12 150.73 25.9 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.472 0.709 . . . . 70.21 109.265 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -96.43 164.19 12.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.944 -0.571 . . . . 75.33 111.057 -178.418 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' B' ' 165' ' ' SER . 30.4 mt -138.14 154.33 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 124.003 0.921 . . . . 74.03 109.262 174.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.85 102.52 9.77 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.284 -1.376 . . . . 70.43 107.284 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.8 t -90.76 94.18 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.492 -0.558 . . . . 75.34 109.492 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.82 96.68 5.7 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.659 -0.497 . . . . 45.13 109.659 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 169' ' ' LEU . 14.4 t -93.32 121.1 34.36 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.883 -0.784 . . . . 63.51 108.883 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.08 132.06 38.37 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.84 -0.618 . . . . 72.32 109.5 -174.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.619 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 18.6 mm100 -116.81 84.6 2.17 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.604 -0.726 . . . . 73.21 109.782 -173.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.534 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 29.3 t-105 -105.24 105.52 15.6 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 114.798 -1.092 . . . . 75.43 108.983 176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.619 ' HE2' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -138.63 149.38 45.15 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.102 0.961 . . . . 74.13 108.95 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.428 HG22 ' HB3' ' B' ' 104' ' ' PHE . 7.8 m -94.77 117.37 30.03 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.243 -0.651 . . . . 74.14 109.243 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 14.2 mt -96.37 165.46 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.28 1.032 . . . . 73.24 109.971 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -121.34 130.02 53.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 123.518 0.727 . . . . 73.51 109.13 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 152.74 38.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.888 0.875 . . . . 64.44 109.576 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 31.6 tt0 -91.69 146.53 23.7 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.984 -0.376 . . . . 73.34 109.984 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -134.95 166.38 28.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 124.089 0.956 . . . . 72.34 109.5 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -108.86 145.76 32.36 Favored Pre-proline 0 C--N 1.354 0.787 0 C-N-CA 122.799 0.44 . . . . 73.12 110.17 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.18 -34.76 26.99 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.04 2.493 . . . . 73.33 112.366 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -80.07 -11.46 59.76 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.631 -0.713 . . . . 60.53 111.834 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.89 161.27 21.93 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 122.806 0.442 . . . . 63.15 110.721 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -82.48 160.3 22.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.289 0.566 . . . . 74.4 110.459 170.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.2 mm -65.69 -24.72 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.913 -1.04 . . . . 74.24 110.026 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -22.31 66.0 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.992 0.517 . . . . 64.12 111.096 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m-20 -62.78 -50.59 70.42 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 171.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.79 -44.55 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.903 0.881 . . . . 63.01 110.105 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' OE1' ' A' ' 41' ' ' GLN . 38.3 ttpt -54.21 -46.73 72.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.417 -1.265 . . . . 72.35 110.748 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.49 64.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.01 -0.996 . . . . 73.14 111.749 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 71.8 mmtt -70.92 -49.22 48.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.493 0.317 . . . . 53.42 110.619 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' OE1' ' A' ' 41' ' ' GLN . 11.2 pt -70.25 -27.54 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.441 0.297 . . . . 75.13 110.992 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.11 -39.54 90.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.333 0.653 . . . . 72.2 110.983 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.82 -42.48 70.18 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.939 0.896 . . . . 65.15 110.999 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.01 -60.15 2.03 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.003 . . . . 73.11 111.788 -171.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -85.78 -36.44 20.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.714 0.406 . . . . 54.31 110.096 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 33.67 9.03 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.11 -0.495 . . . . 61.11 112.762 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -77.67 122.71 86.16 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 108.305 -0.998 . . . . 45.34 108.305 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 27.3 Cg_endo -61.94 119.6 6.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.852 2.368 . . . . 64.24 112.233 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 14.9 Cg_endo -52.92 -49.28 18.14 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 124.498 3.466 . . . . 72.35 113.954 -175.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -83.2 -1.97 54.37 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.717 -0.674 . . . . 70.33 111.878 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 76.4 mt-30 -115.85 8.39 14.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.597 0.759 . . . . 65.13 111.11 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.414 ' OE1' HD11 ' A' ' 30' ' ' ILE . 1.9 pt20 -118.46 156.11 29.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.129 0.572 . . . . 72.15 110.608 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 44.3 mtp180 -136.04 108.91 7.58 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.799 -1.185 . . . . 74.21 107.799 -174.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' A' ' 67' ' ' LEU . 6.7 mp -85.97 119.33 26.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.156 -0.683 . . . . 72.11 109.156 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.653 HG21 ' HE1' ' C' ' 757' ' ' TYR . 78.8 mt -129.28 140.68 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.307 0.643 . . . . 71.22 110.368 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.2 m-85 -110.04 -160.67 0.72 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.143 -1.428 . . . . 61.43 107.143 172.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.73 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.575 1.15 . . . . 55.13 113.203 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 60.07 32.32 75.45 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 114.922 -1.035 . . . . 53.1 113.394 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.82 133.91 55.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.706 0.253 . . . . 73.14 110.829 -174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.96 106.16 18.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.715 0.806 . . . . 74.51 110.249 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.753 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -83.35 92.17 7.48 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.629 0.771 . . . . 61.12 109.372 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.04 119.85 9.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.942 -1.026 . . . . 71.54 108.953 168.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.9 p-10 -61.75 -32.39 72.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.012 0.434 . . . . 63.2 111.061 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.23 8.42 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 119.674 -0.514 . . . . 74.23 113.693 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' O ' HG12 ' A' ' 23' ' ' ILE . 54.6 ttt180 -123.19 171.47 9.32 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.648 -0.871 . . . . 74.25 108.648 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 m -101.44 148.78 24.78 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 119.857 1.208 . . . . 72.33 112.249 -166.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.98 -49.44 75.74 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.495 0.718 . . . . 75.13 111.033 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.787 -0.642 . . . . 73.43 112.175 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -36.01 70.98 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.221 0.951 . . . . 74.14 110.734 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.92 -16.14 32.58 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.981 -0.554 . . . . 72.1 111.039 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 t30 63.33 64.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.571 1.148 . . . . 74.23 110.96 -169.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.69 114.29 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.322 -0.992 . . . . 55.12 108.322 165.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -101.42 174.97 5.73 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.278 0.631 . . . . 45.2 110.383 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -73.27 138.88 45.76 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.181 0.593 . . . . 34.31 110.741 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.51 31.0 20.71 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.283 1.433 . . . . 75.02 112.714 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -85.36 140.25 30.92 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 109.701 -0.481 . . . . 74.2 109.701 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.82 120.57 39.96 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.037 0.446 . . . . 64.44 112.098 -171.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 43' ' ' LEU . 6.9 tt -110.15 130.6 55.51 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.284 1.434 . . . . 71.12 108.874 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.718 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 11.8 tt -94.75 139.1 19.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 123.293 0.637 . . . . 54.04 110.142 173.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.13 110.1 22.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.559 0.743 . . . . 62.05 110.355 174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 89.5 mt -96.36 116.02 28.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.555 -1.202 . . . . 61.33 108.427 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.502 HD13 HG13 ' B' ' 108' ' ' VAL . 10.5 mp -75.3 170.47 16.02 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.286 -0.635 . . . . 62.21 109.286 169.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -35.03 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.14 1.376 . . . . 73.11 113.655 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' C' ' 760' ' ' ALA . 9.3 tt -62.56 -54.01 46.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.504 -1.226 . . . . 64.3 109.927 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 114.526 -1.215 . . . . 65.11 107.97 -178.186 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.285 -0.326 . . . . 73.2 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -147.54 149.89 33.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.515 0.726 . . . . 73.2 110.184 -176.309 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -92.69 152.6 19.44 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.757 -0.656 . . . . 72.25 109.984 -173.153 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.9 pt -141.0 164.62 20.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 124.089 0.956 . . . . 65.04 110.176 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -105.01 135.74 45.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.739 -1.119 . . . . 70.21 108.429 174.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 67' ' ' LEU . 16.0 m -120.79 107.46 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.777 0.799 . . . . 75.4 110.471 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.718 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 3.4 m-20 -66.37 96.33 0.35 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.654 -1.157 . . . . 73.15 109.362 173.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 55.5 p -100.99 140.83 34.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 65.43 110.351 -175.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.3 p -128.17 123.35 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.397 0.679 . . . . 61.1 109.803 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -129.31 129.59 45.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.109 1.364 . . . . 75.24 108.598 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -80.24 142.34 34.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.0 0.52 . . . . 72.15 109.786 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 7' ' ' THR . 62.8 mttm -132.45 89.46 2.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.617 -0.882 . . . . 73.41 108.617 172.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.9 m -77.18 108.36 10.23 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.345 -0.843 . . . . 61.42 109.514 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.446 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 15.7 mm -92.0 104.52 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.037 -1.468 . . . . 61.24 107.037 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 95.8 m -90.28 111.8 23.13 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.597 -0.89 . . . . 44.35 108.597 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.25 162.53 25.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.73 -0.668 . . . . 63.22 109.483 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.0 tt0 -113.81 140.41 48.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.076 -1.083 . . . . 75.21 108.076 166.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.03 171.04 17.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 123.519 0.727 . . . . 70.32 109.925 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -114.77 151.97 45.91 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.272 0.629 . . . . 63.45 109.567 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.82 -37.19 28.51 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.837 2.358 . . . . 62.22 112.827 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 25.3 m -82.38 -8.12 59.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.123 -0.49 . . . . 72.33 111.187 -174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -74.65 149.79 39.85 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.572 -0.529 . . . . 73.12 109.572 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -85.5 169.09 13.93 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.005 0.815 . . . . 62.14 111.053 174.682 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.1 mm -72.13 -16.86 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.268 0.627 . . . . 63.23 110.47 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.425 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -62.12 -30.15 70.83 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 122.977 0.511 . . . . 75.33 110.583 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 38.3 m-80 -62.48 -48.43 79.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.748 -0.464 . . . . 74.34 109.748 172.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -44.87 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.614 0.766 . . . . 74.32 111.016 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' B' ' 124' ' ' GLU . 54.8 pttt -65.12 -37.34 87.13 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 122.372 0.269 . . . . 72.31 110.384 178.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.59 74.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 115.993 -0.548 . . . . 61.33 111.28 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 68.8 mmtt -71.33 -47.91 53.67 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 110.348 -0.242 . . . . 71.44 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' B' ' 136' ' ' ILE . 28.4 pt -67.88 -31.09 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 119.857 -0.116 . . . . 61.4 111.043 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.83 -48.2 55.28 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.63 0.372 . . . . 62.34 111.277 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.47 -49.56 76.31 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.759 0.79 . . . . 75.34 110.912 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -84.92 -55.52 4.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.406 -1.27 . . . . 50.31 110.44 -173.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -98.61 -21.1 16.63 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.618 0.229 . . . . 62.32 111.618 -167.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.91 14.05 68.09 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.778 -0.457 . . . . 40.54 113.5 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.44 HD12 ' HB ' ' B' ' 130' ' ' ILE . 69.2 mt -70.97 117.69 58.52 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 109.525 -0.546 . . . . 62.02 109.525 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.702 ' HB2' ' HG2' ' B' ' 140' ' ' GLN . 23.4 Cg_exo -62.47 122.93 11.52 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 123.159 2.573 . . . . 53.31 111.958 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -57.78 -38.56 92.46 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.654 2.903 . . . . 71.11 113.42 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.44 -30.77 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.623 0.769 . . . . 53.15 112.298 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.702 ' HG2' ' HB2' ' B' ' 137' ' ' PRO . 2.6 pt20 -111.02 27.89 9.25 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 120.994 0.426 . . . . 73.53 111.191 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.517 ' HG3' HD11 ' B' ' 169' ' ' LEU . 17.7 tt0 -70.75 82.38 0.63 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.05 -0.722 . . . . 74.22 109.05 169.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 126.85 41.28 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.079 -1.452 . . . . 63.41 107.079 172.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.705 HD21 ' H ' ' B' ' 150' ' ' LEU . 0.0 OUTLIER -141.23 153.14 45.11 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 122.941 0.497 . . . . 72.11 110.108 -176.583 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -119.39 110.12 16.58 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 106.847 -1.538 . . . . 52.04 106.847 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 165' ' ' SER . 64.7 t80 -108.75 99.73 9.05 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.802 -1.184 . . . . 74.11 107.802 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 45.83 32.83 1.37 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.935 0.894 . . . . 51.45 113.022 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.81 25.3 27.75 Favored Glycine 0 C--N 1.359 1.848 0 C-N-CA 123.117 0.389 . . . . 71.32 114.07 -176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -129.51 172.84 11.14 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.0 0.92 . . . . 63.44 110.759 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -117.51 134.89 54.36 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.616 -1.254 . . . . 64.21 107.616 163.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.705 ' H ' HD21 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.69 96.07 7.42 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.957 -1.498 . . . . 63.45 106.957 164.669 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.493 ' HB3' ' HD3' ' B' ' 154' ' ' ARG . 34.3 tt0 -73.44 132.55 43.08 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.045 -0.98 . . . . 65.44 110.234 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -43.47 -45.52 6.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.063 1.745 . . . . 73.43 113.823 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.74 15.54 19.52 Favored Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.819 -1.082 . . . . 63.34 115.432 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.493 ' HD3' ' HB3' ' B' ' 151' ' ' GLU . 0.8 OUTLIER -118.74 174.07 6.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 117.957 0.879 . . . . 73.21 111.391 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.0 p -97.45 173.45 7.17 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.708 1.203 . . . . 52.4 110.408 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.13 -35.77 71.86 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.707 -0.678 . . . . 74.33 109.459 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.4 t -66.49 -29.7 69.87 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.605 0.762 . . . . 34.15 111.074 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -54.8 -33.59 61.7 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.721 0.809 . . . . 74.21 111.781 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -102.59 -1.97 29.32 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.416 -0.811 . . . . 64.35 110.941 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.6 47.48 24.72 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.152 0.981 . . . . 63.41 109.994 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 9.5 mm -52.41 119.25 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 114.177 -1.374 . . . . 74.14 111.246 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -79.19 149.62 31.9 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 121.393 0.616 . . . . 73.41 110.77 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -63.02 126.25 26.7 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.351 -0.981 . . . . 63.4 108.351 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 72.09 35.45 1.27 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.35 1.031 . . . . 73.34 109.816 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.413 ' HB2' HG23 ' A' ' 3' ' ' ILE . 58.6 m -50.62 146.75 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 116.259 -0.428 . . . . 70.32 111.669 161.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.55 126.56 37.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.163 0.585 . . . . 62.15 110.119 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.46 156.78 44.35 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.375 0.67 . . . . 64.54 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.3 tt -106.63 110.67 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 73.14 110.165 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.517 HD11 ' HG3' ' B' ' 141' ' ' GLN . 7.6 tt -99.61 141.07 32.89 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.329 -0.989 . . . . 53.21 108.329 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -141.22 141.29 34.04 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.737 0.815 . . . . 73.52 108.92 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.433 ' HG ' HG23 ' B' ' 136' ' ' ILE . 7.0 mp -75.17 96.46 3.29 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.675 -0.861 . . . . 63.41 108.675 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 91.9 m . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 123.446 0.698 . . . . 71.41 110.122 -173.157 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.804 0.812 . . . . 74.04 111.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -48.82 51.1 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-N 113.925 -1.489 . . . . 73.3 111.183 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -46.49 -60.22 2.49 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 125.303 1.627 . . . . 45.05 110.392 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 14.7 ptpt -60.03 -42.53 94.59 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 123.898 0.749 . . . . 71.41 111.998 -170.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.31 -57.79 11.47 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.98 0.8 . . . . 64.22 111.491 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.27 -21.41 62.1 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.42 -0.809 . . . . 71.33 110.689 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -84.06 -27.8 28.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.565 1.146 . . . . 65.41 110.365 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 62.3 mt -69.5 -37.13 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.368 -0.975 . . . . 71.14 108.368 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.68 -40.44 97.11 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.794 -0.639 . . . . 73.03 109.437 171.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -40.18 93.57 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.298 0.639 . . . . 51.21 111.383 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.479 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 35.0 m-85 -66.46 -33.33 75.45 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.854 0.359 . . . . 63.34 110.559 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -73.09 -29.76 63.17 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.691 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 88.5 m -64.06 -37.48 87.58 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.283 -0.636 . . . . 71.53 109.283 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.653 ' HE1' HG21 ' A' ' 44' ' ' ILE . 24.9 m-85 -63.73 -66.38 0.55 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.525 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -35.63 69.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 124.243 0.964 . . . . 71.43 111.652 -167.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' C' ' 817' ' ' LEU . 32.3 tt0 -70.91 -49.54 44.63 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.411 0.284 . . . . 71.51 110.404 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -73.03 -23.14 60.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.861 0.689 . . . . 75.02 112.861 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.759 ' HE1' HD11 ' C' ' 765' ' ' LEU . 5.3 ppp? -88.38 -48.65 7.48 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 119.154 -0.45 . . . . 61.25 110.092 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.479 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 18.6 mt -69.32 -16.45 63.55 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 118.498 0.59 . . . . 74.23 112.529 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 7.8 t -71.14 -21.33 62.21 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.457 0.571 . . . . 54.23 110.073 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -98.01 -62.43 1.25 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.587 0.755 . . . . 70.24 110.256 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.759 HD11 ' HE1' ' C' ' 761' ' ' MET . 0.3 OUTLIER -96.94 64.04 1.98 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.395 1.093 . . . . 71.33 110.319 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.27 79.92 1.32 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.352 -1.295 . . . . 65.4 112.025 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m 162.99 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 126.725 2.01 . . . . 73.1 109.091 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.565 HD22 ' HG2' ' C' ' 772' ' ' ARG . 95.5 mt -134.29 142.31 47.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.17 0.588 . . . . 71.14 110.457 175.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.8 t -69.62 160.62 31.22 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 108.646 -0.872 . . . . 64.42 108.646 163.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.407 HD21 HD12 ' C' ' 795' ' ' LEU . 2.7 tt -57.26 -30.73 64.9 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.953 0.501 . . . . 74.32 110.585 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 771' ' ' ASP . . . . . 0.496 ' HB2' HH11 ' C' ' 772' ' ' ARG . 7.8 m-20 -49.44 -37.3 25.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.471 1.108 . . . . 72.53 113.394 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.565 ' HG2' HD22 ' C' ' 768' ' ' LEU . 6.9 mpt_? -70.94 -66.43 0.61 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.869 0.467 . . . . 64.33 109.975 -174.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.556 HD13 HD21 ' C' ' 799' ' ' LEU . 2.4 pp -62.45 -24.5 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.858 -0.61 . . . . 75.44 111.791 -178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 23.9 t80 -64.02 -60.42 3.27 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 123.257 0.623 . . . . 74.11 109.776 170.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -54.76 -36.27 64.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.537 1.135 . . . . 70.4 111.746 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 76.7 mtp -72.6 -53.89 10.64 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.434 -0.803 . . . . 63.31 111.524 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.87 -35.7 73.42 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 120.798 0.332 . . . . 65.31 110.645 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' C' ' 781' ' ' VAL . 10.3 tpt180 -67.87 -38.28 82.86 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.291 1.036 . . . . 73.14 110.169 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 44.9 ttp -58.73 -57.43 13.06 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.426 -0.583 . . . . 75.21 109.426 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -57.23 -40.04 76.73 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.6 0.562 . . . . 63.44 112.313 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.598 HG11 HG12 ' C' ' 790' ' ' ILE . 31.7 m -68.69 -43.32 83.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 118.987 -0.53 . . . . 74.54 112.039 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.81 -32.62 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.5 0.591 . . . . 73.35 112.197 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 24.7 p -72.83 -25.76 61.24 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.054 0.541 . . . . 74.23 111.878 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.2 -160.47 9.69 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 115.466 -0.788 . . . . 75.03 112.311 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.56 4.15 7.06 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 123.193 2.595 . . . . 74.44 112.292 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -57.17 99.64 0.04 OUTLIER 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.466 1.104 . . . . 75.03 111.856 -170.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 81.1 mt 63.67 2.17 1.22 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.306 1.443 . . . . 70.43 113.278 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 49.67 57.79 6.13 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.023 0.929 . . . . 74.22 112.343 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 66.32 114.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.381 1.472 . . . . 74.33 113.247 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.598 HG12 HG11 ' C' ' 781' ' ' VAL . 21.0 pt -101.24 161.46 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.025 0.93 . . . . 70.14 110.155 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.25 -171.26 2.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.692 -0.685 . . . . 74.12 109.188 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 792' ' ' LEU . . . . . 0.548 ' O ' ' HB3' ' C' ' 796' ' ' GLN . 4.0 mm? -60.6 -26.54 67.05 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.041 0.756 . . . . 51.04 113.041 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -57.67 -54.6 45.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.157 0.979 . . . . 53.13 109.568 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 794' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' C' ' 790' ' ' ILE . 16.4 mm-40 -70.98 -40.45 71.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 112.957 -1.929 . . . . 74.24 109.578 -173.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.658 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -68.3 -62.78 1.24 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.935 -1.029 . . . . 64.23 110.011 -177.06 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 796' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' C' ' 792' ' ' LEU . 7.1 tt0 -55.2 -40.55 70.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.504 0.722 . . . . 73.41 110.665 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.6 -34.71 90.67 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.89 0.744 . . . . 43.43 113.142 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -65.39 -51.15 62.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.913 0.885 . . . . 73.14 110.328 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.556 HD21 HD13 ' C' ' 773' ' ' ILE . 3.9 mm? -60.09 -48.51 81.4 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 115.882 -0.599 . . . . 53.15 110.673 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -50.62 -46.21 58.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.016 1.326 . . . . 65.43 110.727 176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.68 -56.07 26.97 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.074 0.859 . . . . 73.32 110.499 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.6 mmtt -58.33 -31.14 67.28 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.963 0.727 . . . . 75.15 112.963 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 92.0 t -72.76 -45.89 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 122.566 0.346 . . . . 75.52 110.105 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.72 -23.02 66.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.248 0.619 . . . . 72.04 111.605 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.38 2.51 52.46 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.128 0.971 . . . . 71.2 111.6 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 15.17 5.88 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 125.246 1.418 . . . . 74.41 111.707 -175.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.47 -18.19 27.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.63 1.172 . . . . 75.43 111.251 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' C' ' 817' ' ' LEU . 0.8 OUTLIER -147.16 134.76 20.99 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 107.847 -1.168 . . . . 72.01 107.847 -175.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.38 149.37 8.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.97 0.89 . . . . 74.2 111.115 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.81 108.64 17.02 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 113.236 -1.802 . . . . 75.03 107.646 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 32.2 t -84.92 -147.33 0.1 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.243 -1.021 . . . . 74.32 108.243 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.09 77.57 0.94 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.226 0.921 . . . . 73.34 110.664 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.88 14.85 81.25 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.75 -0.659 . . . . 44.04 113.842 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 146.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 123.0 0.52 . . . . 75.3 110.728 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.87 143.31 29.32 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 123.983 0.913 . . . . 70.32 111.97 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.43 ' O ' HD23 ' C' ' 808' ' ' LEU . 27.9 ptt180 -160.36 158.72 30.13 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.939 -1.028 . . . . 75.03 110.116 170.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.615 HD23 ' HG ' ' C' ' 808' ' ' LEU . 96.4 mt -82.28 133.4 50.62 Favored Pre-proline 0 N--CA 1.474 0.766 0 CA-C-O 119.704 -0.189 . . . . 71.43 111.426 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.377 2.027 0 C-N-CA 122.75 2.3 . . . . 63.55 111.059 172.564 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 112.442 -0.263 . . . . 51.3 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -124.06 156.72 36.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.851 0.861 . . . . 74.43 109.539 -175.671 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' B' ' 163' ' ' LYS . 12.9 mm-40 -89.29 165.78 14.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.115 0.483 . . . . 71.53 110.466 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -139.05 147.22 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 124.079 0.952 . . . . 74.34 109.818 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 14.6 m-85 -110.6 108.47 18.42 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.446 -1.316 . . . . 53.21 107.446 165.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.75 114.83 42.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 108.569 -0.9 . . . . 63.13 108.569 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -87.74 99.69 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.82 -1.082 . . . . 70.2 108.888 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -93.07 116.31 28.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.14 -0.936 . . . . 73.02 108.512 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.68 141.2 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.748 0.819 . . . . 71.33 110.897 -171.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -133.73 85.0 2.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.068 0.947 . . . . 70.55 109.217 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' HA ' ' O ' ' B' ' 107' ' ' THR . 30.8 t-105 -92.14 106.17 18.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.642 -0.873 . . . . 73.11 108.642 172.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -162.24 154.89 19.7 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 115.042 -0.981 . . . . 62.24 110.362 -170.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 92.4 m -74.97 138.2 42.12 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.744 1.218 . . . . 64.35 111.471 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mm -109.07 112.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 108.866 -0.79 . . . . 73.31 108.866 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.477 HG22 ' CD1' ' B' ' 104' ' ' PHE . 28.5 p -84.09 115.9 22.61 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.597 -0.52 . . . . 72.44 109.597 173.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 154.81 42.58 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 120.733 0.302 . . . . 75.52 110.836 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 136.84 35.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.09 0.956 . . . . 71.04 109.127 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.57 162.45 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 122.919 0.488 . . . . 64.34 110.306 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 7.8 mm-40 -100.47 138.18 20.11 Favored Pre-proline 0 C--N 1.346 0.442 0 C-N-CA 123.968 0.907 . . . . 73.44 109.822 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 39.5 Cg_endo -65.16 -33.4 49.8 Favored 'Trans proline' 0 C--N 1.366 1.482 0 C-N-CA 122.702 2.268 . . . . 53.21 112.476 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -91.76 -0.79 57.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.995 0.518 . . . . 75.32 111.739 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 4.0 t70 -90.96 165.07 13.75 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 108.937 -0.764 . . . . 53.1 108.937 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 10.6 p -83.42 161.26 21.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.158 0.583 . . . . 72.02 111.851 176.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.635 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 33.3 mm -62.36 -25.19 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.841 1.257 . . . . 73.01 110.499 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 5.9 tp10 -44.68 -40.16 5.69 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.479 1.512 . . . . 74.52 111.234 168.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.3 t-20 -53.27 -59.5 4.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.743 0.817 . . . . 74.31 110.264 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.34 -52.81 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.267 0.979 . . . . 62.23 110.575 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -67.91 -30.85 70.27 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.412 -0.813 . . . . 60.12 112.013 -175.53 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.35 65.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.325 0.25 . . . . 75.2 111.173 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.7 mmpt? -72.91 -39.52 66.25 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.533 0.333 . . . . 73.1 111.052 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 36' ' ' ILE . 17.1 pt -74.68 -29.09 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 CA-C-N 117.56 0.164 . . . . 73.54 110.58 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.69 -34.94 74.63 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.763 0.316 . . . . 74.42 110.94 170.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.42 -49.39 55.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.429 0.692 . . . . 52.44 110.738 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -87.74 -58.81 2.44 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.177 -0.919 . . . . 72.13 111.888 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -87.92 -14.05 40.3 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 122.257 -0.277 . . . . 60.35 111.403 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.66 33.92 45.59 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.166 0.291 . . . . 61.14 113.519 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.6 HD12 ' HB ' ' A' ' 30' ' ' ILE . 51.2 mt -88.04 123.95 67.79 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.464 0.706 . . . . 71.13 110.244 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.0 Cg_endo -80.81 105.12 1.64 Allowed 'Trans proline' 0 CA--C 1.561 1.826 0 C-N-CA 122.672 2.248 . . . . 73.21 111.212 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 43.1 Cg_endo -64.0 -27.46 66.15 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.53 2.82 . . . . 70.22 113.496 -170.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.29 -43.39 61.63 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.802 1.241 . . . . 74.02 111.469 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 5.3 pt20 -112.22 26.36 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.689 0.796 . . . . 73.0 110.241 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.46 118.12 22.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.162 0.985 . . . . 61.53 110.304 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.9 97.74 8.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.28 1.432 . . . . 71.22 109.457 175.511 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.85 114.22 18.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.216 -1.401 . . . . 70.32 107.216 170.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.54 HG12 ' HG2' ' A' ' 49' ' ' GLN . 37.9 mt -124.24 139.61 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 118.962 0.801 . . . . 72.41 110.87 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 61' ' ' ILE . 1.1 t80 -126.97 101.67 6.66 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 125.435 1.494 . . . . 73.2 108.097 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.56 32.97 21.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.797 0.686 . . . . 44.22 112.254 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.49 6.94 58.32 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 115.068 0.787 . . . . 42.23 115.068 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -114.71 113.07 23.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.163 0.585 . . . . 73.2 109.789 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.54 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.5 mt-30 -73.34 110.35 7.56 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.765 -0.828 . . . . 65.53 108.765 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.8 101.52 2.62 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.657 0.783 . . . . 72.32 110.449 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 128.21 33.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 107.804 -1.184 . . . . 72.0 107.804 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.635 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.0 p-10 -56.66 -28.6 61.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.603 1.561 . . . . 73.12 114.368 -164.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.89 -18.38 74.29 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.797 -0.638 . . . . 75.42 114.161 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.79 174.72 9.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 117.497 0.648 . . . . 61.42 110.028 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 16.4 m -97.36 160.12 14.52 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.03 0.932 . . . . 74.11 109.631 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.53 -51.64 66.6 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.283 0.563 . . . . 44.23 110.256 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.67 -22.75 67.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.21 0.604 . . . . 75.43 112.083 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' THR . 22.4 t70 -56.51 -33.89 66.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.869 0.868 . . . . 61.33 111.173 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.74 -3.2 33.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.124 0.569 . . . . 71.35 111.637 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 t30 58.16 63.62 1.71 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.723 0.773 . . . . 72.34 109.503 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 45' ' ' PHE . 2.5 mm -77.17 108.62 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.13 -0.941 . . . . 74.55 108.73 177.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -84.92 -173.67 4.85 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.026 -0.534 . . . . 75.2 110.228 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.558 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 4.6 ttmp? -81.66 148.2 29.15 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.855 0.462 . . . . 75.42 109.82 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 39.9 mt-10 58.68 27.7 16.21 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.026 1.331 . . . . 72.52 112.724 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB2' HG22 ' B' ' 103' ' ' ILE . 53.9 m -62.43 115.13 3.96 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 123.23 0.612 . . . . 55.03 110.396 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.38 9.23 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.994 0.426 . . . . 71.43 110.245 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.623 HD23 HG22 ' B' ' 105' ' ' VAL . 0.3 OUTLIER -89.29 157.99 18.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.522 0.729 . . . . 73.1 109.673 178.844 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -125.06 129.84 73.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.828 0 CA-C-O 121.237 0.541 . . . . 63.35 110.081 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD12 ' HB ' ' B' ' 107' ' ' THR . 95.9 mt -100.05 105.61 17.28 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.148 -0.933 . . . . 73.14 109.989 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 90.0 mt -97.66 113.83 25.66 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.473 -0.936 . . . . 73.25 108.473 173.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 tp -74.75 168.01 20.7 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 118.789 0.722 . . . . 72.33 109.418 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 1.1 m -29.9 113.38 0.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.965 2.106 . . . . 75.22 115.075 -169.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' C' ' 760' ' ' ALA . 2.3 tm? -160.66 -77.74 0.06 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.607 0.763 . . . . 71.54 108.984 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 123.667 0.787 . . . . 75.43 108.919 177.435 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 100' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.634 -0.586 . . . . 73.14 111.634 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.41 163.02 30.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.102 0.561 . . . . 75.45 110.203 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.424 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 30.8 mm-40 -95.5 153.21 17.81 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.76 -1.2 . . . . 44.41 107.76 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 65' ' ' SER . 27.0 pt -144.13 147.46 19.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 C-N-CA 123.02 0.528 . . . . 71.12 110.091 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.477 ' CD1' HG22 ' A' ' 14' ' ' THR . 12.5 m-30 -106.43 100.45 9.97 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.154 -1.054 . . . . 61.13 108.154 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 67' ' ' LEU . 47.9 t -101.6 103.18 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 108.347 -0.983 . . . . 75.01 108.347 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 6.3 t0 -83.59 124.45 30.8 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.99 -0.745 . . . . 74.11 108.99 -172.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.544 ' HB ' HD12 ' A' ' 69' ' ' LEU . 10.2 t -122.71 144.27 49.26 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.762 0.825 . . . . 73.33 110.759 -172.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.44 109.27 27.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.855 -0.795 . . . . 73.11 108.855 162.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 87.46 4.39 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.037 -1.468 . . . . 72.12 107.037 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -98.16 142.14 30.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.171 0.988 . . . . 63.34 109.834 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.88 149.69 16.53 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.091 -0.959 . . . . 72.22 109.68 167.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.1 m -102.99 126.97 50.39 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.391 0.676 . . . . 73.44 109.536 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -106.15 137.01 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 107.618 -1.253 . . . . 71.43 107.618 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.7 m -111.65 124.1 51.61 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.884 -0.414 . . . . 74.03 109.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 169.24 17.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.01 0.524 . . . . 73.52 110.594 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -112.93 144.21 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.6 -0.889 . . . . 75.51 108.6 170.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.424 HG22 ' H ' ' B' ' 118' ' ' GLU . 5.2 p -141.68 -178.11 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 N-CA-C 108.915 -0.772 . . . . 71.24 108.915 174.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.424 ' H ' HG22 ' B' ' 117' ' ' VAL . 41.2 mt-10 -128.43 149.74 72.42 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 108.84 -0.8 . . . . 73.2 108.84 176.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 -34.81 98.61 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.061 2.508 . . . . 50.12 112.481 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.5 m -78.24 -9.23 59.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.198 -0.91 . . . . 74.11 111.939 -175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.62 170.86 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.303 0.573 . . . . 73.35 110.687 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -110.36 155.79 21.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.92 -1.036 . . . . 73.2 111.258 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.78 -23.88 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 113.986 -1.461 . . . . 72.44 111.575 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.3 pt-20 -54.11 -35.17 61.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.567 0.747 . . . . 61.42 111.201 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -66.24 -47.57 73.35 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.659 0.784 . . . . 74.44 110.71 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.92 -46.98 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.394 0.678 . . . . 74.23 110.422 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 55.8 pttt -68.39 -36.67 79.48 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.812 -0.631 . . . . 75.13 111.04 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.14 79.88 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.667 0.387 . . . . 61.22 110.764 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.64 -37.06 60.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.331 0.652 . . . . 65.53 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -68.59 -34.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.602 0.637 . . . . 70.31 109.583 173.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -66.3 -40.21 89.85 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.761 0.424 . . . . 74.34 111.163 172.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.5 -51.35 52.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 71.31 111.371 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -89.64 -53.93 4.3 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.829 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.5 -8.97 49.0 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.194 -169.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.8 73.53 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 123.322 0.389 . . . . 61.33 113.256 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' B' ' 141' ' ' GLN . 73.4 mt -85.56 127.1 64.54 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 124.052 0.941 . . . . 73.32 110.833 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.49 107.4 1.21 Allowed 'Trans proline' 0 CA--C 1.56 1.812 0 C-N-CA 122.521 2.147 . . . . 63.23 110.9 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 44.9 Cg_endo -63.36 -39.28 38.21 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.501 2.8 . . . . 71.54 114.444 -165.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 -29.46 28.83 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.422 0.689 . . . . 71.53 110.962 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -76.55 -20.12 57.19 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.408 1.083 . . . . 65.01 110.503 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' B' ' 171' ' ' LEU . 15.2 mm-40 -117.81 98.59 6.43 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.951 -0.759 . . . . 70.42 108.951 175.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -77.59 104.9 8.39 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.128 -0.693 . . . . 74.31 109.128 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 126.5 28.81 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 114.874 -1.057 . . . . 72.33 108.892 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 144' ' ' ASP . . . . . 0.748 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 25.3 t70 -113.39 151.43 31.31 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.87 1.268 . . . . 63.1 110.847 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.486 ' HB2' HD21 ' B' ' 150' ' ' LEU . 10.3 t80 -142.26 107.31 4.94 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.98 0.912 . . . . 75.12 109.341 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.92 24.52 14.61 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.295 1.038 . . . . 71.44 112.803 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.33 5.91 60.24 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.187 -0.229 . . . . 60.14 113.569 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -129.65 117.81 20.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.397 -0.964 . . . . 74.44 108.397 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.748 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 5.0 pp0? -71.29 152.7 43.01 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.813 0.339 . . . . 71.2 110.842 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.692 HD21 HD23 ' B' ' 167' ' ' LEU . 1.6 mm? -86.37 109.74 19.22 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.415 -0.958 . . . . 74.01 108.415 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 4.8 tt0 -56.18 132.29 50.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.881 -0.785 . . . . 64.21 108.881 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -60.99 -31.31 70.92 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.167 0.987 . . . . 65.05 112.731 -168.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.06 12.33 57.4 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.313 -0.403 . . . . 33.31 113.394 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.639 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 7.2 tpt180 -85.54 175.1 8.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.083 0.553 . . . . 64.22 110.305 -173.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -102.18 152.29 21.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.535 0.734 . . . . 62.25 110.042 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.402 HD13 HD12 ' B' ' 161' ' ' ILE . 4.3 mm? -64.65 -42.02 95.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.091 0.556 . . . . 51.04 110.714 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -68.34 -24.88 64.87 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.346 -0.843 . . . . 63.13 111.735 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.57 -30.81 67.45 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.267 0.627 . . . . 75.03 111.132 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.542 ' HB2' HG13 ' B' ' 161' ' ' ILE . 89.2 m-85 -100.52 -7.25 24.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.05 0.54 . . . . 71.01 110.441 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.2 t30 49.82 58.94 4.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.966 1.307 . . . . 71.11 110.121 -168.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.542 HG13 ' HB2' ' B' ' 159' ' ' TYR . 9.2 mt -71.71 120.49 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 114.604 -1.18 . . . . 62.33 110.031 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.2 162.15 13.15 Favored 'General case' 0 C--O 1.262 1.76 0 CA-C-N 115.49 -0.777 . . . . 71.1 109.737 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -53.52 138.28 34.31 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.547 -1.206 . . . . 74.42 110.394 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 164' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 pt-20 70.8 16.2 6.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.701 1.601 . . . . 74.33 112.73 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.5 p -51.18 125.84 15.05 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 123.351 0.407 . . . . 53.2 110.649 173.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.03 108.95 21.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.698 0.399 . . . . 52.04 110.003 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.692 HD23 HD21 ' B' ' 150' ' ' LEU . 1.0 OUTLIER -115.8 149.96 37.71 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.324 -1.361 . . . . 74.04 107.324 -177.56 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.86 140.33 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 119.719 1.145 . . . . 62.12 110.805 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.4 HD21 HG21 ' B' ' 136' ' ' ILE . 9.3 mp -70.51 132.74 45.98 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.536 0.335 . . . . 51.43 110.451 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.68 147.65 31.59 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 107.988 -1.116 . . . . 62.03 107.988 165.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.495 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 7.6 mp -70.21 155.39 40.71 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 118.636 -0.697 . . . . 73.13 109.414 172.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.685 1.231 . . . . 63.21 114.279 -176.021 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.772 0.32 . . . . 72.23 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.44 -50.1 74.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.893 1.277 . . . . 73.31 110.527 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -62.26 -58.58 7.22 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 115.325 -0.852 . . . . 75.05 110.677 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 15.1 ptpt -63.81 -39.85 95.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 114.584 -1.189 . . . . 75.24 111.753 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.9 -49.5 73.23 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 123.765 0.665 . . . . 74.12 110.876 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.4 -21.62 59.55 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.79 0.681 . . . . 75.51 111.486 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.01 -49.27 73.08 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.785 -0.82 . . . . 71.23 108.785 167.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 43.4 mt -66.38 -33.8 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.89 0.744 . . . . 73.41 111.3 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.27 -36.44 71.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.324 -0.991 . . . . 74.31 108.324 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -49.54 65.62 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.551 0.741 . . . . 73.43 110.132 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 28.3 m-85 -55.83 -39.64 71.7 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.551 0.74 . . . . 70.31 109.973 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.485 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 4.9 t-105 -67.33 -40.64 85.93 Favored 'General case' 0 C--O 1.197 -1.693 0 CA-C-N 114.164 -1.38 . . . . 75.24 110.202 177.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 42.3 m -64.73 -35.36 80.81 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.838 0.744 . . . . 60.02 110.555 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.482 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 37.5 m-85 -61.39 -61.86 2.24 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 122.916 0.486 . . . . 75.33 110.144 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.563 HD11 HD11 ' C' ' 777' ' ' LEU . 50.3 mt -62.74 -37.23 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.922 0.764 . . . . 72.02 111.154 -176.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' C' ' 817' ' ' LEU . 8.0 tt0 -68.37 -54.84 14.57 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.093 0.557 . . . . 72.2 109.816 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -73.01 -27.31 61.71 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.484 -0.78 . . . . 74.34 112.305 -172.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.1 ptm -70.34 -50.36 39.9 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.42 -0.956 . . . . 74.43 108.42 170.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' C' ' 816' ' ' ARG . 15.1 mt -68.39 -13.11 62.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.349 0.66 . . . . 74.14 112.749 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.9 m -73.11 -22.93 60.46 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.67 0.788 . . . . 63.31 110.659 173.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -107.88 -68.02 0.93 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.24 -0.652 . . . . 64.44 109.24 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.551 HD12 HD23 ' C' ' 768' ' ' LEU . 0.4 OUTLIER -86.66 68.86 10.27 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.313 1.054 . . . . 74.41 108.892 -177.088 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.565 ' HB2' ' HG3' ' C' ' 816' ' ' ARG . 12.6 pt-20 -74.56 78.13 1.97 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.053 -1.431 . . . . 74.44 111.245 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 18.6 m 157.52 117.76 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 128.4 2.68 . . . . 71.22 108.464 168.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.551 HD23 HD12 ' C' ' 765' ' ' LEU . 1.0 OUTLIER -162.93 159.42 23.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.014 0.925 . . . . 72.42 109.989 176.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 769' ' ' SER . . . . . 0.454 ' OG ' ' HG3' ' C' ' 772' ' ' ARG . 78.9 p -80.97 156.68 25.83 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 120.969 0.414 . . . . 50.44 110.034 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' C' ' 799' ' ' LEU . 7.2 tp -58.46 -33.39 69.69 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.941 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.28 -41.45 88.94 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.318 1.047 . . . . 74.13 111.351 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.454 ' HG3' ' OG ' ' C' ' 769' ' ' SER . 61.2 mtp180 -62.52 -59.64 4.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.283 -0.872 . . . . 72.42 110.551 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.74 -21.62 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 115.676 -0.693 . . . . 72.34 111.832 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.57 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 53.6 t80 -60.66 -54.38 46.0 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.817 -0.808 . . . . 62.23 108.817 169.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -60.5 -36.0 77.29 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 123.778 0.674 . . . . 72.11 111.547 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.41 -60.7 3.39 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.413 0.446 . . . . 72.3 110.189 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.563 HD11 HD11 ' C' ' 758' ' ' ILE . 8.4 mt -52.74 -34.23 51.76 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.656 0.783 . . . . 73.2 112.154 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.588 ' HA ' HG12 ' C' ' 781' ' ' VAL . 0.0 OUTLIER -65.18 -47.34 77.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.448 0.699 . . . . 75.11 111.238 177.806 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.7 tpt -50.96 -49.37 60.16 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.157 0.911 . . . . 64.25 110.368 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -74.88 -26.5 59.71 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 113.043 0.757 . . . . 74.01 113.043 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.5 p -89.68 -17.29 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.699 0.4 . . . . 72.55 111.338 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 -35.78 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 122.281 -0.262 . . . . 74.15 110.405 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.1 p -65.53 -27.16 68.26 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 111.859 0.318 . . . . 54.42 111.859 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.94 174.46 15.56 Favored Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.541 -1.024 . . . . 64.34 110.541 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.93 -33.46 15.89 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 121.954 1.77 . . . . 75.32 110.891 168.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' C' ' 781' ' ' VAL . . . 40.14 -87.23 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.502 1.921 . . . . 64.05 113.963 -171.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 787' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 751' ' ' LEU . 5.5 mp -129.07 37.3 4.08 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.657 0.783 . . . . 44.35 109.655 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 58.65 36.3 24.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.266 1.026 . . . . 43.03 111.239 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 74.65 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.197 1.799 . . . . 70.25 110.832 -169.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.419 HG12 HG11 ' C' ' 781' ' ' VAL . 8.2 pt -81.42 172.32 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.21 1.004 . . . . 74.44 109.948 171.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -129.12 175.7 8.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.386 0.674 . . . . 73.22 110.099 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.08 -44.93 94.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.136 0.974 . . . . 74.22 111.792 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -62.83 -32.72 73.98 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.921 0.391 . . . . 61.34 110.445 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.26 -37.98 51.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.133 -0.94 . . . . 74.2 109.758 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.57 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.0 OUTLIER -70.37 -62.22 1.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.64 1.176 . . . . 74.5 109.103 -179.017 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -54.17 -46.38 72.32 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.995 0.918 . . . . 64.5 110.695 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.47 -43.15 77.18 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.984 0.803 . . . . 70.31 113.153 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 21.8 t80 -58.27 -55.2 38.09 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.318 1.047 . . . . 74.01 110.711 176.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.5 mm? -63.51 -49.65 72.73 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.789 -1.096 . . . . 73.05 111.885 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.13 -30.49 71.42 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.677 0.611 . . . . 74.31 110.041 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -55.58 31.68 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 108.623 -0.88 . . . . 73.32 108.623 171.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -53.31 -38.82 63.51 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.927 0.767 . . . . 73.02 112.583 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 799' ' ' LEU . 50.0 t -65.77 -47.53 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.776 -0.453 . . . . 72.12 109.776 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -79.21 -5.21 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.491 0.716 . . . . 74.31 112.381 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -91.56 1.46 57.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.716 1.206 . . . . 73.5 110.876 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 12.1 7.07 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.618 1.567 . . . . 54.22 112.015 -173.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.77 -32.39 25.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.893 0.877 . . . . 64.41 110.718 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' C' ' 815' ' ' TYR . 60.8 tp -134.95 143.01 46.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.899 1.28 . . . . 75.14 109.009 -168.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 809' ' ' VAL . . . . . 0.481 HG22 ' O ' ' C' ' 816' ' ' ARG . 10.8 m -105.61 152.01 7.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 43.31 110.064 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.0 110.08 15.83 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.683 1.193 . . . . 62.31 108.18 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 20.8 t -85.63 -148.71 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.819 -1.178 . . . . 64.52 107.819 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.58 76.04 1.08 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.948 0.794 . . . . 41.31 111.097 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.74 81.89 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.698 -0.683 . . . . 75.24 113.348 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.92 153.38 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.049 0.539 . . . . 74.1 110.283 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 815' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' C' ' 808' ' ' LEU . 46.9 m-85 -102.71 142.77 33.31 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.27 0.628 . . . . 72.43 110.943 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.565 ' HG3' ' HB2' ' C' ' 766' ' ' GLU . 50.8 ttt180 -145.68 136.7 24.64 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.102 1.361 . . . . 64.03 109.068 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' C' ' 759' ' ' GLN . 24.3 mt -87.84 128.61 53.55 Favored Pre-proline 0 N--CA 1.475 0.806 0 O-C-N 122.049 -0.407 . . . . 64.4 110.872 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 C--N 1.369 1.631 0 C-N-CA 122.72 2.28 . . . . 71.15 110.634 167.811 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.731 -0.548 . . . . 51.22 111.731 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.87 -177.95 6.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.064 0.945 . . . . 73.12 110.268 -175.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.452 ' HB3' ' HG2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -135.53 134.33 39.33 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.142 -1.058 . . . . 72.02 108.142 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.74 156.74 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 109.27 -0.641 . . . . 62.24 109.27 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' HB3' HG23 ' B' ' 112' ' ' THR . 21.8 m-85 -95.96 128.37 42.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 61.54 109.158 170.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.594 HG23 ' HB ' ' B' ' 113' ' ' ILE . 3.0 m -110.28 106.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 108.537 -0.912 . . . . 71.34 108.537 172.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 14.3 m-20 -78.59 99.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.161 1.384 . . . . 75.34 109.663 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.688 HG22 HD22 ' B' ' 169' ' ' LEU . 40.7 p -87.71 102.46 14.66 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 174.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.9 119.03 48.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 122.088 0.946 . . . . 70.32 109.247 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.713 ' HB3' ' HG3' ' B' ' 109' ' ' GLN . 36.0 tt0 -95.02 97.27 9.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.4 -1.273 . . . . 74.23 108.092 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.474 ' HH2' HD11 ' A' ' 68' ' ' ILE . 5.4 t-105 -118.12 98.16 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 106.494 -1.669 . . . . 73.11 106.494 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -164.55 156.28 15.85 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.861 1.06 . . . . 74.33 113.861 -172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 27.4 m -76.79 130.01 37.07 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.452 1.101 . . . . 74.23 110.877 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mm -113.05 111.93 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.667 -0.864 . . . . 75.11 108.667 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.7 m -83.76 119.5 24.89 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.676 -0.861 . . . . 74.12 108.676 174.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 HG23 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -144.23 153.45 42.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.521 0.329 . . . . 74.43 111.204 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 2.0 tm-20 -84.09 143.23 29.85 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.006 0.922 . . . . 73.41 108.699 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -150.99 155.31 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.199 0.6 . . . . 61.34 109.628 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.69 147.18 35.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.474 0.709 . . . . 74.15 110.184 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.63 -34.21 64.17 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.691 2.261 . . . . 63.23 112.223 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 m -77.3 -12.39 59.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.724 0.81 . . . . 73.52 112.126 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.99 151.38 45.64 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.759 -0.46 . . . . 72.11 109.759 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -82.56 160.25 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.598 -0.728 . . . . 74.1 110.465 166.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.531 HD13 HD22 ' A' ' 56' ' ' LEU . 23.5 mm -66.28 -26.53 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.638 0.775 . . . . 72.15 110.098 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -21.16 64.85 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.537 0.735 . . . . 72.13 111.299 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 24.9 m120 -61.96 -60.82 3.06 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.874 0.734 . . . . 72.44 109.223 170.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -56.84 -36.0 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 123.813 0.845 . . . . 72.21 111.256 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 38' ' ' PRO . 36.2 ttpt -57.14 -53.41 58.39 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.742 1.217 . . . . 74.35 111.215 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -24.53 63.3 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.432 -0.803 . . . . 41.23 112.017 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 4.0 mptp? -70.02 -54.39 13.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.858 0.863 . . . . 73.01 109.648 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 2.7 pp -65.63 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 117.902 0.319 . . . . 63.45 110.872 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -67.65 -35.28 78.6 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 115.815 -0.629 . . . . 61.43 110.615 174.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.22 -44.23 72.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.274 0.63 . . . . 71.24 110.472 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 73.1 mmtt -81.08 -71.36 0.47 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.995 -1.002 . . . . 52.53 111.138 -172.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.3 -25.17 36.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.505 0.722 . . . . 75.53 111.765 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.03 23.08 56.33 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 121.77 -0.252 . . . . 63.33 113.482 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 69' ' ' LEU . 43.1 mt -73.36 125.13 90.98 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.562 0.745 . . . . 64.05 109.664 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.19 135.25 53.38 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 123.244 2.63 . . . . 63.53 112.329 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 6.2 Cg_endo -49.08 -44.33 33.33 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 124.367 3.378 . . . . 72.5 113.901 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.74 -26.91 62.66 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.251 -0.886 . . . . 65.03 112.331 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -102.65 26.37 8.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.215 0.606 . . . . 74.22 112.457 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.629 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 4.2 pt20 -131.54 163.47 27.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.593 0.711 . . . . 75.02 111.724 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 37.2 mtp85 -140.82 100.33 3.81 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 107.147 -1.427 . . . . 62.03 107.147 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 43' ' ' LEU . 2.6 mp -85.05 134.66 34.2 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.662 -0.866 . . . . 74.33 108.662 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' HG2' ' A' ' 49' ' ' GLN . 49.4 mt -134.94 138.8 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 121.065 0.459 . . . . 74.32 109.79 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.79 101.73 5.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.504 -0.924 . . . . 75.11 108.504 -171.515 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.59 40.67 31.73 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.1 0.875 . . . . 60.32 110.855 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 -2.27 78.76 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.067 -0.969 . . . . 73.44 115.499 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -97.96 120.03 37.63 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.239 1.019 . . . . 64.32 110.478 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.6 mt-30 -81.65 115.59 20.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 71.14 108.111 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 45' ' ' PHE . 34.9 mt -87.01 126.61 34.85 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 123.967 0.792 . . . . 61.5 111.781 -164.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -76.48 127.19 32.35 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 107.664 -1.235 . . . . 63.42 107.664 164.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 12.1 p-10 -61.95 -28.27 69.42 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.139 0.576 . . . . 73.34 111.37 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.91 -1.3 78.39 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.83 -0.623 . . . . 71.42 114.577 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.74 177.67 6.02 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.694 0.747 . . . . 75.42 109.876 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 27.4 m -106.69 157.34 17.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.592 0.757 . . . . 75.22 109.639 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 61' ' ' ILE . 2.6 mm? -59.6 -53.01 63.05 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 109.035 -0.728 . . . . 72.34 109.035 173.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 t -61.6 -22.24 65.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.628 0.771 . . . . 70.1 112.402 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.93 -33.48 71.95 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.599 0.759 . . . . 72.32 111.118 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.18 -2.92 35.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.674 -0.693 . . . . 71.35 111.218 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 60.3 65.58 1.06 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.964 0.906 . . . . 64.15 110.82 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.4 mm -77.64 107.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 114.988 -1.006 . . . . 71.13 109.577 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HG3' ' OG ' ' A' ' 65' ' ' SER . 10.4 pt20 -85.97 -176.14 5.86 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.187 -0.915 . . . . 73.13 109.19 172.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.5 ttpp -92.5 155.24 17.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.159 0.584 . . . . 74.3 110.958 -177.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 56.13 41.47 29.45 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.744 1.217 . . . . 73.5 111.282 -173.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 62' ' ' GLN . 43.4 m -99.72 129.72 45.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.178 0.591 . . . . 63.41 111.279 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.16 102.3 13.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.501 0.667 . . . . 41.14 110.861 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' B' ' 105' ' ' VAL . 3.6 tt -87.94 126.53 35.11 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 106.641 -1.614 . . . . 72.5 106.641 171.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.8 tp -97.43 126.93 50.17 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 108.786 -0.82 . . . . 73.4 108.786 172.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD21 HD12 ' A' ' 36' ' ' ILE . 57.1 tp -98.5 105.17 17.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.439 -0.948 . . . . 71.22 108.439 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' C' ' 760' ' ' ALA . 74.6 mt -96.71 162.94 13.22 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.513 -0.921 . . . . 63.25 108.513 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 41' ' ' GLN . 1.7 pt? -116.38 174.81 5.86 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 108.861 -0.792 . . . . 63.41 108.861 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.03 114.31 1.4 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 122.921 0.488 . . . . 64.53 111.849 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' C' ' 763' ' ' THR . 4.0 pp -75.4 -19.41 59.53 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.0 -1.0 . . . . 63.41 110.912 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.01 1.324 . . . . 75.51 108.392 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.67 -0.572 . . . . 62.22 111.67 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -144.13 149.67 36.89 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.81 0.844 . . . . 63.34 109.532 179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.622 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 10.7 mp0 -108.93 125.0 51.56 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.418 -1.327 . . . . 71.13 107.418 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 39.6 pt -118.23 166.67 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.347 0.659 . . . . 73.53 110.887 -173.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.435 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 12.4 m-85 -113.42 101.53 9.46 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.756 0.822 . . . . 74.51 108.968 -176.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.498 HG23 HD11 ' A' ' 15' ' ' LEU . 57.3 t -96.7 105.19 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.908 -0.775 . . . . 70.22 108.908 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 68' ' ' ILE . 3.0 t70 -78.44 103.06 8.14 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.119 -1.067 . . . . 72.51 108.119 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.7 t -91.73 145.23 24.75 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 114.631 -1.168 . . . . 62.5 112.164 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.419 HG22 ' CE3' ' A' ' 10' ' ' TRP . 36.4 t -120.05 120.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 125.374 1.671 . . . . 74.25 109.508 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.713 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 5.1 pp0? -142.9 150.19 39.46 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.899 -0.778 . . . . 75.32 108.899 160.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -126.43 135.19 51.08 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 107.301 -1.37 . . . . 63.24 107.301 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.81 125.29 19.13 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.732 0.645 . . . . 74.0 109.414 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 4' ' ' PHE . 57.9 m -94.46 116.36 28.71 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.261 0.625 . . . . 74.14 109.406 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 5' ' ' VAL . 14.0 mt -101.72 163.09 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 61.22 108.565 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 18.3 p -122.82 132.23 54.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.067 0.947 . . . . 72.42 109.661 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.436 HD12 ' HD3' ' B' ' 129' ' ' LYS . 2.5 pt? -133.34 164.99 25.88 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.591 -0.892 . . . . 74.51 108.591 171.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 2' ' ' GLN . 33.2 mt-10 -114.9 151.47 33.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.33 1.052 . . . . 72.24 109.032 169.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.6 p -156.46 171.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.43 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -109.91 151.25 42.3 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 123.39 0.676 . . . . 63.11 110.152 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.08 -35.83 32.13 Favored 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 122.549 2.166 . . . . 71.13 112.728 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.8 -8.61 59.71 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.499 0.32 . . . . 75.13 111.141 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.33 158.94 34.86 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.193 0.597 . . . . 61.41 110.25 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.4 p -91.34 162.72 14.48 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.356 0.662 . . . . 75.31 111.073 172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.561 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 34.0 mm -70.71 -20.38 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 CA-C-N 114.874 -1.057 . . . . 53.0 109.958 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 13.5 pt-20 -62.17 -30.61 71.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.927 0.491 . . . . 71.41 110.72 176.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -69.8 -41.05 75.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.303 0.641 . . . . 60.34 110.121 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.74 -51.87 67.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 123.67 0.788 . . . . 64.12 109.911 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 60.3 pttt -64.13 -39.09 93.28 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.894 -0.593 . . . . 72.33 110.698 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.48 93.91 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 116.078 -0.51 . . . . 53.31 111.383 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' B' ' 115' ' ' LEU . 16.1 ptmt -78.27 -34.88 48.69 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.361 0.413 . . . . 72.32 111.754 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.549 ' HB ' HD12 ' B' ' 136' ' ' ILE . 23.3 pt -72.5 -30.16 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 110.072 -0.344 . . . . 74.21 110.072 174.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.55 -37.41 77.04 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.301 0.64 . . . . 64.01 110.903 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.73 -43.77 71.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.056 0.943 . . . . 71.31 111.477 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 -58.95 2.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.194 -0.912 . . . . 65.22 111.222 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.25 -15.17 26.14 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.522 0.329 . . . . 72.33 111.41 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.52 53.49 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.348 0.405 . . . . 64.31 112.557 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.549 HD12 ' HB ' ' B' ' 130' ' ' ILE . 97.3 mt -86.37 110.06 28.41 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.115 0.966 . . . . 64.31 109.532 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.97 118.9 4.54 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 C-N-CA 122.472 2.114 . . . . 72.43 109.81 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.582 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.7 Cg_endo -58.15 -36.3 97.99 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 123.631 2.887 . . . . 73.23 114.071 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.55 -29.07 62.21 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.414 -0.812 . . . . 73.31 110.022 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.74 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 7.7 tm0? -87.29 -22.7 24.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.361 0.665 . . . . 75.52 110.688 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -137.64 103.17 4.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.008 0.923 . . . . 70.13 108.985 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.53 129.74 36.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 65.24 110.063 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' B' ' 167' ' ' LEU . 13.0 mt -85.61 125.67 33.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.889 -0.782 . . . . 75.34 108.889 -178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.91 144.0 51.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.668 0.787 . . . . 73.11 109.984 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' B' ' 150' ' ' LEU . 0.1 OUTLIER -127.05 102.86 7.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.967 -1.123 . . . . 74.33 107.967 177.801 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 49.29 36.3 9.2 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.785 1.234 . . . . 72.32 113.315 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.71 16.06 43.74 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.996 -0.547 . . . . 62.34 114.318 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -121.23 119.12 31.37 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.918 -0.771 . . . . 75.34 108.918 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.38 136.59 55.01 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.308 -0.627 . . . . 74.13 109.308 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' B' ' 145' ' ' PHE . 66.7 mt -94.48 104.31 16.27 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.061 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.1 130.61 43.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.092 -0.958 . . . . 61.34 108.602 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.561 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.7 p-10 -67.38 -25.82 66.15 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.637 0.256 . . . . 74.13 111.223 -173.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -84.28 6.19 77.23 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.773 -0.649 . . . . 71.21 113.871 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.16 167.54 11.14 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.06 -1.089 . . . . 75.24 108.06 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 15.5 p -104.31 166.84 10.14 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.039 0.447 . . . . 74.31 110.99 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 161' ' ' ILE . 3.2 mm? -69.85 -41.84 74.36 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.298 -0.865 . . . . 74.43 109.234 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.3 t -68.96 -24.33 64.24 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.852 -0.613 . . . . 62.04 111.437 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.21 -31.05 70.82 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.708 0.63 . . . . 74.4 110.54 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 161' ' ' ILE . 95.2 m-85 -102.94 4.22 37.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.52 0.728 . . . . 74.23 111.203 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.8 t30 60.42 28.24 17.87 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.054 0.941 . . . . 73.31 111.294 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 156' ' ' LEU . 99.4 mt -58.64 128.71 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.637 1.175 . . . . 73.02 110.997 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.02 174.5 9.95 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 122.117 0.961 . . . . 63.23 111.422 -172.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -59.53 141.26 55.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 114.358 -1.292 . . . . 75.11 110.177 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 55.45 23.39 5.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.121 2.169 . . . . 74.24 113.401 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 66.0 m -67.54 142.01 56.68 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 120.602 -0.439 . . . . 51.12 110.12 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.44 106.14 16.83 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.57 0.7 . . . . 75.33 110.74 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' B' ' 143' ' ' LEU . 4.8 tt -97.3 120.1 37.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.754 1.622 . . . . 74.53 107.261 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 17.9 pt -101.22 143.15 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.059 0.845 . . . . 64.01 110.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 7' ' ' THR . 11.2 mp -101.1 122.3 43.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.02 -0.991 . . . . 72.3 109.134 175.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.61 158.73 15.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.232 -1.025 . . . . 71.44 108.232 170.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.89 166.01 20.41 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 110.204 -0.295 . . . . 75.44 110.204 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.74 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 4.5 t . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 124.346 1.058 . . . . 35.12 113.509 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.576 0.227 . . . . 60.5 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 745' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 7.7 m-20 -62.75 -52.44 63.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.3 1.0 . . . . 71.11 111.252 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 4.9 pp0? -59.28 -28.56 66.86 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.967 0.792 . . . . 73.23 111.923 -169.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 93.3 mttt -59.99 -61.59 2.5 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.0 0.813 . . . . 74.44 110.077 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.91 -41.71 96.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.692 1.245 . . . . 74.33 111.274 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 749' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 28.3 mm-40 -63.06 -41.25 99.41 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.442 0.639 . . . . 53.22 110.471 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 750' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' C' ' 746' ' ' GLN . 2.6 tp10 -66.32 -43.77 85.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 114.392 -1.276 . . . . 71.12 110.568 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 91.0 mt -67.83 -26.67 66.17 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 124.272 0.982 . . . . 45.12 110.803 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -78.42 -34.42 47.96 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.604 -0.887 . . . . 74.25 108.604 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.28 -37.31 74.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.636 0.774 . . . . 72.25 109.529 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.464 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 14.0 m-85 -66.27 -37.92 86.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.3 -0.864 . . . . 65.34 109.746 173.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.52 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.8 t-105 -66.76 -37.78 85.29 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.479 -1.237 . . . . 75.45 109.828 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 72.5 m -62.82 -36.49 83.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.637 0.775 . . . . 63.52 110.571 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.464 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 21.5 m-85 -56.42 -61.79 2.17 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 123.375 0.422 . . . . 73.44 110.192 169.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.32 -31.1 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 O-C-N 124.526 1.141 . . . . 72.54 111.748 -171.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.401 ' HA ' HD11 ' C' ' 817' ' ' LEU . 47.3 mt-30 -66.43 -61.18 2.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.421 0.689 . . . . 64.41 109.796 175.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -71.4 -18.99 62.32 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.408 -1.269 . . . . 64.35 112.481 -170.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.435 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.3 ppp? -85.79 -57.45 3.04 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 108.418 -0.956 . . . . 64.44 108.418 174.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' C' ' 816' ' ' ARG . 29.5 mt -69.47 -16.14 63.41 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 118.869 0.759 . . . . 64.31 112.998 -174.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 763' ' ' THR . . . . . 0.554 HG21 ' HA ' ' A' ' 73' ' ' LEU . 8.9 t -65.81 -22.57 66.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.135 0.574 . . . . 70.3 111.038 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.466 ' HB2' HD11 ' A' ' 71' ' ' LEU . 24.9 t-20 -113.72 -47.72 2.96 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.635 1.174 . . . . 74.41 109.379 174.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' C' ' 761' ' ' MET . 17.1 mt -81.04 59.71 3.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.179 1.392 . . . . 72.3 109.47 -178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.403 ' O ' ' HD2' ' C' ' 816' ' ' ARG . 11.4 pt-20 -80.34 44.01 0.67 Allowed 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.91 1.284 . . . . 75.13 112.938 -171.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 35.5 m 178.6 86.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.44 1.496 . . . . 73.1 109.586 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' C' ' 772' ' ' ARG . 3.2 pp -164.99 154.65 13.16 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.722 0.773 . . . . 61.1 112.478 172.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 24.8 m -66.43 151.3 47.45 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.479 -1.237 . . . . 53.34 111.12 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.573 HD11 HD12 ' C' ' 795' ' ' LEU . 25.4 tp -47.39 -32.12 4.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.838 1.255 . . . . 70.34 112.239 168.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.56 -38.39 74.7 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.336 1.055 . . . . 65.35 112.362 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.515 ' HB2' HD13 ' C' ' 768' ' ' LEU . 0.0 OUTLIER -61.39 -58.05 9.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.966 0.506 . . . . 72.33 110.828 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.2 pp -68.43 -26.92 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.774 -0.648 . . . . 65.43 110.402 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.642 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 73.3 t80 -63.51 -48.01 79.35 Favored 'General case' 0 C--N 1.366 1.302 0 N-CA-C 109.045 -0.724 . . . . 75.01 109.045 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -64.0 -37.17 86.44 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 123.802 0.689 . . . . 72.11 111.569 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 86.9 mtp -60.41 -61.6 2.48 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.607 0.567 . . . . 72.33 110.002 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.77 -36.54 67.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.657 0.783 . . . . 71.33 111.74 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.438 ' O ' HG12 ' C' ' 781' ' ' VAL . 8.6 tpt180 -68.54 -46.86 68.4 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.154 0.982 . . . . 71.24 110.501 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.01 -57.53 10.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.141 0.576 . . . . 74.44 109.926 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -75.03 -16.43 60.6 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.63 0.604 . . . . 71.54 112.63 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 3.0 p -82.09 -39.72 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 117.838 0.29 . . . . 64.22 110.338 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.67 -30.79 9.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 116.748 -0.206 . . . . 61.24 111.485 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.8 p -73.22 -19.89 60.98 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.192 0.442 . . . . 61.34 112.192 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -125.12 -173.77 13.78 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 115.58 -0.736 . . . . 72.15 112.018 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.01 6.1 5.91 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.893 2.395 . . . . 64.53 113.113 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.01 100.05 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.516 1.526 . . . . 64.34 112.042 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 6.1 mp 52.9 20.77 1.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.318 1.047 . . . . 70.52 112.332 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.95 -79.32 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.318 1.047 . . . . 63.13 110.095 -167.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -153.78 112.93 3.74 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.493 1.117 . . . . 63.22 108.112 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 14.5 pt -73.03 163.35 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.237 0.541 . . . . 73.41 110.521 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -126.26 172.82 9.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.105 -0.952 . . . . 73.23 109.747 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.03 -40.03 87.93 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 118.416 -0.802 . . . . 72.12 112.587 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.04 -25.0 59.62 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.777 0.717 . . . . 73.11 111.692 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.82 -46.43 68.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.678 0.751 . . . . 74.41 109.729 171.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.642 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -69.05 -43.12 75.31 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.304 -1.317 . . . . 74.34 109.787 -176.73 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -65.0 -41.98 94.9 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.319 -1.31 . . . . 50.14 110.13 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.2 -36.4 92.33 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 124.527 1.142 . . . . 70.3 113.27 172.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.52 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 25.4 t80 -68.8 -46.34 68.93 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.11 0.564 . . . . 73.43 110.657 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.475 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.1 mm? -66.72 -36.09 81.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.425 0.69 . . . . 74.04 111.053 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 124.016 0.823 . . . . 73.1 109.395 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -56.63 -58.05 9.74 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 124.491 1.12 . . . . 65.44 110.195 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.44 -30.17 70.41 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.734 1.013 . . . . 74.11 113.734 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 64.9 t -72.98 -46.32 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 109.702 -0.481 . . . . 63.24 109.702 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -78.22 -8.97 58.98 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.81 0.444 . . . . 73.54 112.117 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.94 -0.97 57.68 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.1 1.36 . . . . 71.23 110.346 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.51 21.29 12.42 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.412 1.485 . . . . 74.22 111.54 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -101.56 -24.25 14.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.416 1.086 . . . . 63.34 111.822 -168.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.51 143.21 45.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.786 0.834 . . . . 71.01 108.904 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.24 121.98 57.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 108.832 -0.803 . . . . 75.54 108.832 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.42 108.57 21.08 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.465 -1.309 . . . . 72.13 107.465 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.683 ' HB3' HG13 ' C' ' 814' ' ' VAL . 32.4 t -82.19 -152.47 0.1 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 108.896 -0.779 . . . . 71.14 108.896 171.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.74 74.62 1.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 118.925 0.784 . . . . 73.41 111.757 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 68.46 30.28 73.19 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.772 -0.531 . . . . 63.43 111.772 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.683 HG13 ' HB3' ' C' ' 811' ' ' SER . 3.6 p -145.78 142.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.009 0.924 . . . . 72.3 108.979 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -100.83 151.15 22.06 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.248 0.547 . . . . 71.11 111.818 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.644 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.3 OUTLIER -162.83 158.42 22.66 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.319 -1.31 . . . . 72.42 109.756 173.363 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.6 mt -91.97 145.05 30.2 Favored Pre-proline 0 N--CA 1.481 1.087 0 O-C-N 122.256 -0.277 . . . . 62.22 111.642 174.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.369 1.638 0 C-N-CA 122.844 2.363 . . . . 70.11 110.688 166.229 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.659 -0.576 . . . . 73.01 111.659 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 146.73 48.01 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.187 -0.671 . . . . 73.24 109.187 -174.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.608 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 1.9 mp0 -87.81 164.01 16.15 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.818 -0.628 . . . . 73.34 111.776 -168.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.83 150.34 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 107.933 -1.136 . . . . 71.14 107.933 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -110.35 111.37 22.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.113 -1.069 . . . . 62.14 108.113 171.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.64 HG22 HD23 ' B' ' 167' ' ' LEU . 85.2 t -89.59 97.74 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 108.198 -1.038 . . . . 61.34 108.198 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -81.14 99.2 8.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.81 0.844 . . . . 64.24 109.036 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 111' ' ' LYS . 9.3 t -91.39 118.61 30.68 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.653 -0.703 . . . . 41.11 109.236 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 m -110.04 144.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 115.561 -0.745 . . . . 64.22 109.982 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 29.9 mm-40 -122.85 88.32 2.91 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.31 0.644 . . . . 65.52 110.856 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HE3' HG22 ' B' ' 108' ' ' VAL . 51.4 t-105 -93.3 110.43 21.96 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.589 -1.263 . . . . 63.13 107.589 168.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -156.02 139.35 15.72 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.615 0.572 . . . . 65.33 110.385 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 14.8 m -81.46 122.45 27.53 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.531 0.732 . . . . 73.13 110.238 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -94.23 113.66 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 109.089 -0.708 . . . . 72.5 109.089 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -84.05 112.83 20.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.242 -0.651 . . . . 73.1 109.242 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.56 167.75 19.46 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 109.043 -0.725 . . . . 64.24 109.043 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -111.49 142.85 43.23 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.348 0.594 . . . . 72.33 109.781 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.3 177.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.525 1.13 . . . . 63.34 108.897 169.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.25 156.31 76.86 Favored Pre-proline 0 N--CA 1.473 0.685 0 N-CA-C 108.046 -1.094 . . . . 71.13 108.046 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.97 -30.46 91.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 121.909 1.739 . . . . 74.14 112.398 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -72.78 -21.5 60.98 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.974 0.796 . . . . 52.22 111.957 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.38 153.87 41.59 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.789 0.436 . . . . 60.1 110.73 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.6 p -92.92 160.85 14.72 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.354 0.597 . . . . 72.1 110.47 169.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 17.8 mm -70.34 -25.24 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 114.528 -1.214 . . . . 74.25 110.195 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.82 -23.59 66.34 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.08 0.952 . . . . 72.33 111.473 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 14.4 m120 -60.23 -59.01 6.09 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.94 0.775 . . . . 54.51 109.33 171.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 30' ' ' ILE . 60.6 t -57.06 -48.04 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 73.3 109.801 -178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -52.14 -50.4 61.82 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.272 1.429 . . . . 74.35 110.999 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.11 -28.08 61.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.686 0.394 . . . . 61.12 111.824 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 9.7 mmpt? -70.62 -48.47 54.91 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.474 0.31 . . . . 73.12 110.267 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 36' ' ' ILE . 10.2 pt -70.46 -32.67 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.533 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.98 -35.87 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.804 0.442 . . . . 62.45 111.121 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.12 -51.55 24.41 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.604 0.762 . . . . 64.12 110.51 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -82.67 -56.94 3.55 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.892 -1.049 . . . . 75.11 111.237 -171.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 1.8 mp0 -75.55 -27.89 58.82 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.689 0.396 . . . . 72.31 110.895 -177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.06 58.15 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 123.706 0.629 . . . . 62.12 112.027 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.548 HD11 ' HB ' ' A' ' 30' ' ' ILE . 21.9 pt -89.58 114.83 62.05 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.023 0.529 . . . . 71.11 110.392 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -63.82 134.61 44.38 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.586 2.19 . . . . 75.43 111.026 175.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.65 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 2.3 Cg_endo -47.05 -31.88 12.29 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 124.178 3.252 . . . . 71.33 113.128 166.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.13 -46.66 68.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 114.294 -1.321 . . . . 73.11 110.998 172.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -99.1 -3.19 35.21 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.844 1.257 . . . . 64.15 112.07 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.65 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 6.7 tt0 -96.06 108.88 21.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.266 1.427 . . . . 64.42 110.106 -175.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 15.7 mtp180 -108.86 74.1 0.89 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.09 -1.448 . . . . 74.31 107.09 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.95 115.93 22.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.262 0.625 . . . . 71.52 109.47 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.734 HG12 ' HG3' ' A' ' 49' ' ' GLN . 42.8 mt -119.94 138.99 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 121.269 0.556 . . . . 75.21 109.59 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' HB3' HD21 ' A' ' 50' ' ' LEU . 31.4 t80 -131.75 119.0 20.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 64.24 108.819 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.33 22.63 11.01 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.944 0.897 . . . . 63.35 112.745 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 92.34 12.95 57.98 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 116.158 -0.473 . . . . 53.22 113.752 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.09 125.74 27.03 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.248 0.619 . . . . 53.25 109.797 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.734 ' HG3' HG12 ' A' ' 44' ' ' ILE . 22.2 mp0 -74.66 130.37 39.4 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.422 0.689 . . . . 70.44 109.172 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.7 mt -88.29 106.45 18.23 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.612 -0.722 . . . . 61.33 109.736 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.524 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 40.1 mt-10 -71.37 124.5 24.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.849 -1.167 . . . . 74.12 107.849 171.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 6.0 p-10 -63.46 -22.19 66.75 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.83 0.706 . . . . 70.14 112.422 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -2.72 63.86 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 116.03 -0.532 . . . . 73.44 114.274 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HD3' ' HB2' ' A' ' 51' ' ' GLU . 2.9 mpt_? -94.72 178.0 5.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.537 0.669 . . . . 70.31 109.544 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 m -112.58 158.0 20.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.322 . . . . 75.32 108.392 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.07 -37.01 85.51 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 65.32 109.46 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.4 -31.58 72.77 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.758 0.823 . . . . 51.33 112.259 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.79 -28.34 65.87 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.026 0.53 . . . . 64.41 111.232 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.39 -2.38 25.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.987 0.515 . . . . 74.24 111.599 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.58 43.49 22.48 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.151 0.907 . . . . 70.43 110.229 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.24 116.32 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.944 -1.025 . . . . 73.13 111.622 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.04 -178.64 7.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.844 -1.071 . . . . 74.51 110.707 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 37.8 ttmt -79.83 138.8 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.216 -0.661 . . . . 74.24 109.216 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 38.2 mt-10 62.89 30.49 16.54 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.016 1.326 . . . . 73.14 112.153 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.569 ' HB2' HG22 ' B' ' 103' ' ' ILE . 74.9 m -56.84 135.04 55.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.555 0.742 . . . . 61.54 110.968 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.41 113.87 27.36 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.743 0.701 . . . . 35.12 111.107 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -118.8 125.6 49.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.922 -1.14 . . . . 62.15 107.922 -176.443 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 tt -97.81 128.5 49.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.503 0.668 . . . . 75.03 109.554 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.614 HD23 ' H ' ' B' ' 108' ' ' VAL . 34.3 tp -87.04 115.27 24.31 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.097 -0.956 . . . . 75.12 108.594 170.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 4.0 mp -100.73 126.09 47.24 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.691 -1.596 . . . . 65.2 106.691 170.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' B' ' 108' ' ' VAL . 4.1 mm? -81.32 170.89 15.46 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.472 -0.566 . . . . 61.54 109.472 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -38.43 96.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.562 0.745 . . . . 75.52 112.604 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 760' ' ' ALA . 3.3 tm? -67.82 -57.2 6.69 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.361 -1.718 . . . . 71.33 106.361 166.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 113.172 -1.831 . . . . 74.13 107.703 172.354 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 113.209 0.044 . . . . 72.13 113.209 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.58 156.27 17.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.132 0.573 . . . . 73.31 110.147 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.476 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 5.5 mm100 -85.26 160.6 19.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.822 -0.436 . . . . 72.42 109.822 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.569 HG22 ' HB2' ' A' ' 65' ' ' SER . 30.4 pt -147.17 149.71 15.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.001 0 C-N-CA 123.85 0.86 . . . . 70.24 108.964 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 15.3 m-30 -112.33 102.67 10.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.343 1.057 . . . . 75.52 108.195 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.21 101.06 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 109.257 -0.646 . . . . 72.05 109.257 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.84 96.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.777 0.831 . . . . 74.12 109.187 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 5.9 t -92.09 144.36 25.52 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 123.573 0.749 . . . . 72.41 109.832 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.614 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -120.17 140.98 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.177 -0.675 . . . . 71.3 109.177 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 15.7 mm100 -132.34 159.32 39.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.45 0.7 . . . . 73.24 110.79 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -136.54 134.05 37.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.42 -1.326 . . . . 74.42 107.42 171.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' THR . 75.4 mmtt -140.24 149.58 43.05 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.406 -1.331 . . . . 73.21 107.406 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 63.6 m -119.64 132.9 55.8 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.572 -0.529 . . . . 71.02 109.572 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.1 mm -110.59 125.0 67.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 107.134 -1.432 . . . . 64.14 107.134 176.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.3 m -103.47 127.23 50.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.833 0.742 . . . . 61.51 109.67 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.99 170.0 16.29 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.101 -1.074 . . . . 73.35 108.101 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.0 tt0 -124.01 145.28 49.31 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.201 -0.666 . . . . 75.41 109.201 170.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 p -134.38 171.08 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 122.93 0.492 . . . . 72.11 110.244 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.02 151.56 44.97 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.805 0.842 . . . . 72.52 109.181 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.36 -29.99 45.22 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.251 1.967 . . . . 73.4 112.458 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.4 m -78.06 -14.09 59.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.991 0.916 . . . . 73.53 112.618 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.85 159.73 30.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.888 0.375 . . . . 65.43 109.99 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 160.89 14.61 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.878 0.871 . . . . 73.34 110.683 171.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' B' ' 150' ' ' LEU . 39.9 mm -65.63 -28.04 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 114.636 -1.166 . . . . 73.12 110.729 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.418 ' HA ' ' HE3' ' B' ' 127' ' ' LYS . 17.1 pt-20 -59.74 -31.91 70.07 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.325 0.65 . . . . 60.4 111.316 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.17 -46.66 86.09 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.1 0.96 . . . . 64.4 110.041 173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.86 -48.13 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.869 0.867 . . . . 64.21 110.695 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.457 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.1 OUTLIER -68.8 -34.92 76.34 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.768 -0.196 . . . . 74.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.38 89.27 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.62 0.368 . . . . 72.42 111.238 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' B' ' 133' ' ' LYS . 17.1 ptpt -73.35 -41.45 63.43 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-O 118.567 -0.73 . . . . 73.41 111.289 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.402 ' HB ' HD11 ' B' ' 136' ' ' ILE . 2.6 pp -63.18 -41.61 93.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 CA-C-N 119.156 0.889 . . . . 72.01 110.011 176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.11 -43.05 86.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.901 0.751 . . . . 64.23 111.045 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.37 -50.99 65.54 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.942 0.897 . . . . 54.25 111.354 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 73.1 mmtt -66.46 -62.8 1.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.41 -0.814 . . . . 74.32 111.258 -173.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 134' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' B' ' 136' ' ' ILE . 37.5 mt-10 -80.5 -46.83 15.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.582 0.23 . . . . 63.32 111.61 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.7 35.52 2.8 Favored Glycine 0 N--CA 1.476 1.328 0 N-CA-C 110.914 -0.874 . . . . 71.14 110.914 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.5 HG12 ' HB2' ' B' ' 134' ' ' GLU . 1.5 pt -105.93 100.29 27.23 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 125.488 1.515 . . . . 52.04 110.345 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.479 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 28.0 Cg_endo -64.54 117.6 4.65 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.552 2.168 . . . . 75.04 111.166 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.457 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 33.8 Cg_endo -61.8 -20.7 70.16 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.289 2.659 . . . . 74.1 112.79 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.25 -47.17 87.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.263 -1.335 . . . . 72.31 109.518 172.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.479 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -97.14 -3.29 41.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.882 1.273 . . . . 55.42 110.843 -177.434 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -128.42 101.52 6.24 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.139 -0.689 . . . . 74.2 109.139 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.57 112.21 16.6 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.264 -0.643 . . . . 72.34 109.264 177.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' B' ' 167' ' ' LEU . 5.5 mp -75.82 139.7 41.89 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.577 -0.527 . . . . 74.34 109.577 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 144' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 148' ' ' LYS . 17.5 t70 -123.31 114.04 19.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.607 0.763 . . . . 72.4 108.954 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.586 ' HB2' HD21 ' B' ' 150' ' ' LEU . 6.0 t80 -109.19 97.92 7.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.619 -0.882 . . . . 71.33 108.619 -171.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 47.52 32.79 2.53 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.663 0.785 . . . . 63.21 112.361 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.411 ' HA2' HH12 ' C' ' 816' ' ' ARG . . . 94.56 17.59 38.47 Favored Glycine 0 C--N 1.351 1.362 0 N-CA-C 114.193 0.437 . . . . 50.01 114.193 -175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 144' ' ' ASP . 41.3 mmtm -107.56 173.71 6.2 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.813 0.806 . . . . 74.02 109.861 172.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -133.82 127.53 32.84 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.582 -1.636 . . . . 71.23 106.582 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.5 mm? -88.41 137.78 32.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.637 0.775 . . . . 71.04 110.3 -167.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 5.6 mp0 -89.32 126.97 35.74 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.761 -1.199 . . . . 55.41 107.761 166.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -62.21 -35.83 80.07 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.064 0.459 . . . . 65.43 110.818 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.27 21.05 13.75 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.898 -0.592 . . . . 72.11 113.239 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 13.0 tpt180 -104.95 174.14 6.01 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.888 -1.153 . . . . 65.25 107.888 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 34.8 m -116.72 150.1 38.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.452 0.701 . . . . 74.54 110.181 -174.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.555 HD12 HG13 ' B' ' 161' ' ' ILE . 4.1 mm? -58.91 -42.54 89.88 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.601 0.76 . . . . 74.23 111.163 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -58.07 -35.21 71.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.408 0.683 . . . . 63.23 112.255 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.35 -29.51 67.72 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.339 0.656 . . . . 64.42 111.39 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -96.9 -4.88 39.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 119.095 -0.479 . . . . 74.2 111.184 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.97 58.11 5.66 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 122.202 1.001 . . . . 74.25 110.276 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.555 HG13 HD12 ' B' ' 156' ' ' LEU . 22.0 mm -66.44 114.66 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 114.002 -1.454 . . . . 70.45 111.114 -172.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -81.71 148.56 28.91 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 109.199 -0.667 . . . . 61.34 109.199 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -57.66 131.08 49.18 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.313 -0.625 . . . . 74.34 109.313 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 73.63 22.84 2.51 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.391 1.057 . . . . 73.33 111.504 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 75.5 m -51.12 127.26 18.69 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 111.669 0.248 . . . . 44.34 111.669 166.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.17 140.15 31.93 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.39 0.614 . . . . 65.21 110.174 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' B' ' 143' ' ' LEU . 23.0 tp -145.35 107.44 4.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.101 0.96 . . . . 72.53 108.81 -170.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.01 124.83 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.535 0.683 . . . . 63.01 110.715 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' A' ' 7' ' ' THR . 79.4 mt -72.64 107.18 4.99 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.381 -0.827 . . . . 75.2 110.598 172.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.3 mt -95.79 156.54 16.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.215 -1.031 . . . . 65.4 108.215 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.48 173.5 10.26 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.185 0.594 . . . . 73.51 109.903 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.485 1.313 0 C-N-CA 124.349 1.059 . . . . 64.42 112.398 172.499 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 112.504 0.557 . . . . 63.21 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.36 -51.53 67.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.437 0.695 . . . . 65.01 111.077 -170.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -53.63 -30.91 45.14 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.456 0.702 . . . . 74.22 112.555 -173.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.55 -62.92 1.51 Allowed 'General case' 0 C--N 1.345 0.375 0 O-C-N 124.235 0.959 . . . . 73.14 110.466 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.79 -28.12 65.47 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.263 -0.88 . . . . 74.04 111.517 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.49 -46.34 73.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.525 -0.546 . . . . 74.3 109.525 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -70.37 -37.23 74.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.204 -0.907 . . . . 64.21 110.604 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.8 -34.64 77.17 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.084 0.553 . . . . 63.11 111.719 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.87 -40.58 72.2 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.045 -1.095 . . . . 72.23 108.045 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.22 -45.96 91.0 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.243 0.964 . . . . 72.14 110.836 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.509 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 16.4 m-30 -57.74 -47.66 81.83 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.626 0.726 . . . . 61.43 109.814 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -66.95 -26.67 66.95 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.181 -1.372 . . . . 74.52 111.003 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.2 m -67.75 -40.78 84.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.113 -0.699 . . . . 74.24 109.113 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.509 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 35.0 m-85 -59.45 -57.71 11.78 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 120.655 0.264 . . . . 74.32 110.958 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.721 HD11 HD11 ' C' ' 777' ' ' LEU . 20.3 mt -66.19 -43.32 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.273 0.983 . . . . 70.43 110.634 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.75 -48.9 70.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.033 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.44 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -69.22 -32.24 71.36 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.616 0.598 . . . . 44.33 112.616 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 25.5 ptm -72.37 -44.17 62.94 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.652 -0.87 . . . . 74.1 108.652 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' C' ' 768' ' ' LEU . 39.1 mt -71.1 -10.62 60.07 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 71.24 112.812 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 17.5 m -77.23 -17.0 58.8 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.222 1.009 . . . . 71.22 111.693 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -119.82 -53.15 2.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.21 0.604 . . . . 74.14 110.623 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -99.09 83.37 2.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 107.664 -1.236 . . . . 72.22 107.664 172.256 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' C' ' 762' ' ' LEU . 38.7 mp0 -71.62 66.39 0.51 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 116.123 -0.49 . . . . 75.23 111.425 175.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 11.4 m 167.98 139.79 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.367 2.667 . . . . 62.23 108.398 167.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' C' ' 762' ' ' LEU . 0.8 OUTLIER -158.14 143.36 16.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.889 -1.051 . . . . 45.33 109.388 172.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 15.8 m -80.96 145.11 31.39 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.447 -1.316 . . . . 73.03 107.447 167.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.483 ' O ' HD12 ' C' ' 770' ' ' LEU . 5.1 tp -59.48 -28.58 67.14 Favored 'General case' 0 C--O 1.204 -1.337 0 O-C-N 124.017 0.823 . . . . 71.42 112.371 -170.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.79 -39.4 65.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 119.348 0.976 . . . . 74.13 111.698 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' C' ' 768' ' ' LEU . 69.8 mtt180 -66.61 -61.08 2.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.04 0.936 . . . . 72.13 110.13 -175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -34.24 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 113.841 -1.527 . . . . 72.44 110.834 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' C' ' 795' ' ' LEU . 9.7 t80 -66.95 -45.72 76.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.435 0.694 . . . . 74.34 111.252 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.776 0.43 . . . . 74.25 110.324 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 33.1 mtm -65.13 -55.88 16.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.65 -0.705 . . . . 74.5 110.626 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.721 HD11 HD11 ' C' ' 758' ' ' ILE . 4.9 mt -55.45 -35.71 65.75 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.041 0.536 . . . . 72.12 111.075 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -59.09 -55.96 28.38 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.283 1.033 . . . . 62.11 110.584 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -58.23 -46.64 85.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.931 0.77 . . . . 75.12 110.733 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -65.21 -39.15 92.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.098 0.559 . . . . 73.25 112.226 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.434 HG21 ' H ' ' C' ' 790' ' ' ILE . 4.9 p -75.81 -31.31 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.75 0.25 . . . . 63.31 111.329 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.24 -27.05 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 112.145 0.424 . . . . 74.33 112.145 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.3 p -66.27 -23.83 66.47 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 112.239 0.459 . . . . 72.12 112.239 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -127.41 172.72 18.71 Favored Glycine 0 N--CA 1.462 0.372 0 N-CA-C 110.767 -0.933 . . . . 65.4 110.767 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.31 -32.87 97.51 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.375 2.05 . . . . 71.04 111.34 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 37.04 -89.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.944 2.098 . . . . 33.13 114.839 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.83 24.81 2.83 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.985 0.914 . . . . 74.14 110.984 -171.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.74 33.44 20.16 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.194 0.998 . . . . 74.4 111.603 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 65.48 112.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.684 1.593 . . . . 65.14 111.356 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.8 pt -72.86 153.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 121.499 0.666 . . . . 74.12 110.151 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.92 176.28 5.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.961 -1.018 . . . . 74.03 109.464 -173.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.87 -53.0 61.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.558 0.743 . . . . 75.01 111.252 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.25 -25.07 66.71 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.882 0.31 . . . . 70.02 111.305 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.3 10.76 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 109.082 -0.71 . . . . 60.13 109.082 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' C' ' 774' ' ' TYR . 2.7 tt -65.76 -51.1 61.88 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.318 1.447 . . . . 64.32 110.497 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.32 -38.82 77.89 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.853 0.861 . . . . 74.35 110.555 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.48 80.82 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.796 0.685 . . . . 72.02 113.549 170.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.56 -45.97 90.51 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.722 0.809 . . . . 73.45 110.312 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 57.8 mt -67.55 -45.94 74.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.205 -1.361 . . . . 54.32 112.493 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -28.03 66.88 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.901 -0.407 . . . . 52.11 109.901 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.12 64.7 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 108.697 -0.853 . . . . 64.42 108.697 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -57.13 -37.01 71.39 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.452 0.47 . . . . 71.31 112.249 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 93.9 t -65.37 -43.35 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 121.047 0.451 . . . . 75.33 110.759 174.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -79.92 -8.08 59.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.002 0.921 . . . . 75.02 112.276 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -88.05 -5.56 58.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.713 1.205 . . . . 71.1 109.715 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.98 12.73 7.12 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.679 1.592 . . . . 64.4 111.561 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -78.93 -37.44 39.77 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.389 1.075 . . . . 64.02 110.32 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 45.4 tp -127.49 138.85 53.05 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 65.01 109.495 -167.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.03 135.23 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.086 0.954 . . . . 72.32 109.695 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -93.11 116.06 28.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.257 -1.016 . . . . 74.01 108.257 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 24.5 t -89.5 -139.71 0.13 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.963 -0.754 . . . . 75.03 108.963 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.81 71.87 2.01 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.678 0.672 . . . . 72.21 110.812 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.99 19.25 78.9 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.249 -0.887 . . . . 53.44 113.741 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.82 165.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.647 0.779 . . . . 70.53 109.942 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.83 140.62 37.41 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.241 -0.651 . . . . 63.54 109.241 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.588 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.1 OUTLIER -151.33 132.21 14.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.728 0.811 . . . . 73.3 109.469 178.45 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.91 135.14 70.99 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 109.258 -0.645 . . . . 53.32 109.258 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--N 1.379 2.177 0 C-N-CA 123.419 2.746 . . . . 75.44 111.794 170.472 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 120.059 -0.3 . . . . 74.3 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.477 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -105.46 145.59 30.66 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.098 0.559 . . . . 75.33 110.307 -174.608 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.4 OUTLIER -101.07 119.87 39.37 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.38 -0.6 . . . . 70.35 109.38 -174.655 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 pt -117.25 161.96 15.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-O 121.162 0.506 . . . . 62.1 110.229 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 11.8 m-85 -112.46 118.82 36.22 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.341 -0.985 . . . . 65.43 108.341 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 115' ' ' LEU . 52.9 t -96.37 91.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 106.95 -1.5 . . . . 73.4 106.95 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' B' ' 168' ' ' ILE . 4.8 m-20 -80.86 100.25 8.74 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.046 -1.434 . . . . 41.33 109.929 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.428 HG23 ' HB2' ' B' ' 111' ' ' LYS . 5.5 t -99.38 112.39 24.58 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.394 0.616 . . . . 62.53 109.631 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' B' ' 110' ' ' TRP . 8.4 p -94.35 127.53 46.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 108.99 -0.744 . . . . 71.22 108.99 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 85.7 mm-40 -108.59 81.19 1.43 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.473 -1.306 . . . . 70.03 107.473 176.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.739 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 7.3 t-105 -112.42 102.17 10.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 107.15 -1.426 . . . . 72.33 107.15 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' NZ ' ' HB2' ' B' ' 171' ' ' LEU . 34.5 mttt -163.57 157.82 19.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.853 0.861 . . . . 74.13 112.039 -173.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 ' HB3' ' B' ' 104' ' ' PHE . 59.6 m -75.53 120.3 20.76 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.76 -1.564 . . . . 44.24 111.336 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.15 113.8 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.796 -1.187 . . . . 73.12 107.796 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.46 HG22 ' CD1' ' B' ' 104' ' ' PHE . 24.5 p -93.63 101.61 13.77 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.883 0.373 . . . . 73.23 110.126 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -120.61 171.27 8.69 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 115.679 -0.691 . . . . 64.34 109.249 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 38.5 tt0 -124.78 127.46 47.24 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.17 -1.048 . . . . 74.44 108.17 171.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -122.94 167.94 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.492 0.717 . . . . 72.15 109.217 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.24 149.88 36.43 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 109.862 -0.421 . . . . 74.12 109.862 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.83 -36.07 92.11 Favored 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.601 2.201 . . . . 74.35 111.685 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -79.46 -11.36 59.91 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.433 1.083 . . . . 72.12 113.187 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 164.4 24.38 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.898 0.317 . . . . 72.44 110.353 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.8 p -90.43 161.5 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 63.33 111.207 173.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.558 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.9 mm -65.07 -25.22 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 115.091 -0.959 . . . . 71.22 110.781 175.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 7.7 pt-20 -62.44 -19.09 63.14 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 122.956 0.503 . . . . 72.1 111.455 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -70.96 -41.78 70.64 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.019 0.528 . . . . 73.42 110.853 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.56 -41.76 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.129 -0.693 . . . . 70.4 109.129 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -52.08 -51.19 59.27 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.791 0.837 . . . . 74.43 111.125 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.11 82.51 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 114.79 -1.095 . . . . 72.21 111.036 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -75.54 -34.93 60.79 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 123.598 0.561 . . . . 73.13 112.463 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 36' ' ' ILE . 21.6 pt -71.57 -33.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.0 0.818 . . . . 72.33 109.65 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.46 -35.19 77.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.35 1.06 . . . . 74.34 110.94 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.1 -44.08 49.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.236 1.014 . . . . 65.44 111.871 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.56 -52.09 6.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.259 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -106.26 -8.99 17.03 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 112.153 0.427 . . . . 72.42 112.153 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 10.58 84.61 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 119.82 -0.434 . . . . 71.12 114.137 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.486 HD12 ' HB ' ' A' ' 30' ' ' ILE . 83.0 mt -63.59 126.59 89.93 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 124.091 0.957 . . . . 74.05 111.5 -172.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.5 Cg_exo -66.82 122.96 10.41 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.814 2.343 . . . . 70.25 112.484 174.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 1.8 Cg_endo -48.22 -34.27 23.89 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 124.278 3.318 . . . . 70.4 113.434 165.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.3 -36.08 72.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.73 -1.123 . . . . 72.43 111.618 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 18.5 mt-30 -98.8 -0.29 42.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.016 0.527 . . . . 71.52 112.358 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.11 122.55 24.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.352 1.061 . . . . 72.21 110.78 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 26.8 mtp-105 -125.58 77.98 1.7 Allowed 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.694 -1.595 . . . . 72.13 106.694 167.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 117.8 20.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 60.05 109.843 -175.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG21 ' CE1' ' C' ' 757' ' ' TYR . 8.7 mm -110.04 139.36 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 108.877 -0.786 . . . . 74.05 108.877 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HD1' ' HG ' ' A' ' 67' ' ' LEU . 86.1 t80 -121.43 100.59 7.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.685 1.194 . . . . 52.54 108.933 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.45 26.88 13.15 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.592 0.757 . . . . 64.52 112.374 174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 96.55 11.91 52.42 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.807 -0.633 . . . . 72.32 114.411 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -126.55 127.06 44.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.359 0.664 . . . . 72.33 110.293 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.475 HE22 HD11 ' C' ' 753' ' ' LEU . 24.5 mp0 -78.95 132.87 36.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.717 0.807 . . . . 64.2 110.686 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 36.3 mt -94.78 117.33 29.96 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.729 0.812 . . . . 61.31 111.44 -175.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -81.85 128.73 34.33 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.9 -1.148 . . . . 73.15 107.9 165.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.558 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.0 p-10 -63.85 -24.09 67.61 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.357 0.663 . . . . 73.32 112.386 -172.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.75 76.16 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 115.652 -0.704 . . . . 51.13 114.028 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -81.19 171.99 14.2 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.226 0.61 . . . . 65.12 109.835 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.3 m -98.7 160.14 14.47 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.848 0.859 . . . . 65.31 109.498 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD13 HD12 ' A' ' 61' ' ' ILE . 3.9 mm? -61.05 -48.99 79.18 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.506 -0.553 . . . . 62.12 109.506 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 t -66.32 -21.94 66.27 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.226 -0.897 . . . . 74.43 112.142 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' THR . 11.7 t70 -54.89 -38.33 67.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.127 0.571 . . . . 70.11 110.178 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HB2' HG13 ' A' ' 61' ' ' ILE . 99.1 m-85 -99.04 -0.5 41.8 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 74.21 111.57 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.86 41.1 21.93 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.668 0.747 . . . . 74.13 110.124 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 59' ' ' TYR . 39.1 mt -64.16 111.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-N 115.604 -0.725 . . . . 73.33 109.643 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.44 -173.81 2.87 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.509 -0.768 . . . . 54.05 110.897 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.65 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.41 147.26 40.1 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.681 -0.69 . . . . 74.32 110.812 176.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.26 26.93 12.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.319 1.447 . . . . 75.32 112.937 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 103' ' ' ILE . 69.2 m -71.34 134.41 46.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.121 0.568 . . . . 64.55 110.31 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SD ' ' C' ' 779' ' ' MET . . . -98.22 113.38 25.29 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.286 0.565 . . . . 71.43 110.498 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' HD1' ' A' ' 45' ' ' PHE . 2.4 mp -104.12 153.12 21.3 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.916 1.287 . . . . 73.2 108.286 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HZ ' ' C' ' 780' ' ' PHE . 8.6 tt -124.94 134.97 65.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.146 -0.687 . . . . 73.04 109.146 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' H ' ' B' ' 108' ' ' VAL . 26.7 tp -96.22 118.28 32.46 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.465 -0.789 . . . . 74.31 109.352 172.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 6.9 mp -96.71 136.5 37.16 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.998 -1.482 . . . . 50.24 106.998 166.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.43 158.5 20.2 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 40' ' ' GLN . 82.9 m -35.75 110.78 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.782 0.833 . . . . 52.41 112.758 170.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HG ' ' HG3' ' A' ' 74' ' ' ARG . 21.7 tp -69.72 -53.5 18.17 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.267 -1.333 . . . . 74.44 110.936 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG3' ' HG ' ' A' ' 73' ' ' LEU . 44.0 mtm180 . . . . . 0 C--O 1.248 0.996 0 N-CA-C 109.37 -0.604 . . . . 72.42 109.37 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 112.876 -0.09 . . . . 74.24 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.5 145.52 43.25 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.678 0.791 . . . . 50.31 109.228 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 6.0 pm0 -87.05 155.51 20.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.187 0.595 . . . . 71.01 109.529 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 65' ' ' SER . 29.2 pt -149.13 152.45 12.03 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 CA-C-O 121.292 0.567 . . . . 64.51 109.845 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 12' ' ' THR . 10.0 m-85 -111.72 99.57 8.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.432 -1.258 . . . . 74.02 107.605 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 15' ' ' LEU . 48.2 t -100.46 104.43 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 N-CA-C 108.828 -0.804 . . . . 72.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 11.2 t70 -80.22 99.62 7.91 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.192 -1.04 . . . . 72.3 108.192 -175.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 63.1 p -100.06 141.18 33.23 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.874 0.87 . . . . 51.22 111.369 -171.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.739 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 4.0 p -119.96 132.06 70.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 CA-C-O 121.74 0.781 . . . . 75.44 111.926 170.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -135.62 97.53 3.69 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.261 -1.336 . . . . 75.41 107.467 166.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 8' ' ' VAL . 10.9 t-105 -73.68 130.34 39.8 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.369 -1.345 . . . . 73.44 107.369 171.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 7' ' ' THR . 7.0 mtpm? -132.0 155.47 47.95 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.576 1.151 . . . . 75.24 108.643 -174.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 30.4 m -135.29 123.2 22.58 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.952 0.501 . . . . 74.42 110.596 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 38.4 mt -95.69 152.36 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 107.605 -1.257 . . . . 62.41 107.605 168.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -135.6 113.54 11.16 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.401 -0.962 . . . . 64.25 108.401 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.671 HD13 ' HD2' ' B' ' 129' ' ' LYS . 0.9 OUTLIER -128.64 167.8 16.67 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.174 -0.921 . . . . 70.41 108.93 -177.136 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 31.3 tt0 -108.97 147.19 32.64 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.861 -1.163 . . . . 74.21 107.861 163.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.21 163.88 7.29 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 N-CA-C 109.399 -0.593 . . . . 74.41 109.399 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -108.12 152.71 41.93 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 109.202 -0.666 . . . . 73.42 109.202 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' PRO . . . . . 0.415 ' HB2' ' HB2' ' B' ' 157' ' ' SER . 43.8 Cg_endo -65.15 -34.65 45.2 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.372 2.048 . . . . 70.43 111.465 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -74.78 -15.88 60.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.912 0.885 . . . . 54.31 111.967 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.08 146.21 49.41 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 109.642 -0.503 . . . . 72.11 109.642 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -84.69 168.15 15.52 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 123.754 0.659 . . . . 73.33 110.697 167.33 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.44 HG12 ' O ' ' B' ' 154' ' ' ARG . 37.4 mm -73.25 -17.13 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.883 -0.598 . . . . 74.33 109.632 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.472 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -56.21 -34.73 66.57 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 123.331 0.652 . . . . 71.23 110.714 174.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.54 -42.89 98.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.309 0.644 . . . . 72.12 110.584 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.39 -45.45 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.513 -0.767 . . . . 74.41 110.568 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.607 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -67.52 -36.3 80.76 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.0 0.429 . . . . 74.54 111.026 177.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.482 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -65.84 -41.75 91.35 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.79 -0.641 . . . . 43.12 111.054 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.671 ' HD2' HD13 ' B' ' 115' ' ' LEU . 18.0 ptpt -74.92 -40.84 60.62 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.987 -0.53 . . . . 63.01 110.889 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' B' ' 127' ' ' LYS . 32.1 pt -66.96 -26.28 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 119.026 0.83 . . . . 54.03 110.706 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -73.73 -42.74 60.74 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 122.122 -0.361 . . . . 73.42 110.834 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.69 -35.4 80.92 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.408 0.683 . . . . 64.42 111.409 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 66.3 mmtt -96.67 -50.52 4.67 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.21 -0.904 . . . . 74.01 111.127 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -101.94 -24.43 14.01 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.797 0.439 . . . . 75.13 111.873 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 88.68 15.43 59.84 Favored Glycine 0 N--CA 1.479 1.526 0 CA-C-O 120.118 -0.268 . . . . 71.14 113.591 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.413 HD13 HD21 ' B' ' 169' ' ' LEU . 74.0 mt -74.64 121.56 85.53 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.657 0.783 . . . . 75.43 110.204 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.2 126.38 11.06 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.217 2.611 . . . . 72.14 112.229 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.607 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.2 Cg_endo -52.86 -47.27 28.33 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 123.951 3.101 . . . . 74.25 113.969 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -26.58 66.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.35 111.153 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -109.52 15.96 22.57 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.591 0.757 . . . . 61.41 111.242 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.518 ' HB2' HD11 ' B' ' 169' ' ' LEU . 0.5 OUTLIER -115.57 136.91 52.6 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.866 -0.791 . . . . 73.54 108.866 171.148 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -117.14 85.41 2.32 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.319 1.047 . . . . 75.14 108.195 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.36 110.08 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.734 -0.839 . . . . 70.34 108.734 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 144' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' B' ' 168' ' ' ILE . 20.4 t70 -99.14 138.78 35.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.285 0.564 . . . . 64.31 110.086 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.402 ' HE1' ' OG ' ' B' ' 165' ' ' SER . 45.3 t80 -133.84 106.38 7.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.727 1.211 . . . . 63.15 108.83 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.49 27.72 16.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.055 0.942 . . . . 71.42 112.479 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.68 3.47 64.4 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 116.389 -0.369 . . . . 72.14 113.133 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -127.71 117.75 22.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.827 0.851 . . . . 75.11 110.215 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 69.2 mt-30 -68.61 150.7 47.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.37 0.668 . . . . 73.52 111.147 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.608 HD11 HD23 ' B' ' 167' ' ' LEU . 88.7 mt -93.92 112.33 24.16 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.138 0.975 . . . . 75.11 111.25 -170.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 38.6 mt-10 -65.93 125.62 25.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.652 0.781 . . . . 75.32 109.393 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.58 -31.26 64.06 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.169 0.988 . . . . 55.23 112.442 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -96.18 21.43 45.34 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.303 -0.408 . . . . 74.34 113.847 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.4 OUTLIER -111.35 158.71 18.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.81 0.844 . . . . 75.54 109.381 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 14.5 p -94.62 159.76 14.93 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.751 0.705 . . . . 74.11 111.304 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.21 -38.66 92.03 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 124.071 0.857 . . . . 65.24 109.264 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 157' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' B' ' 119' ' ' PRO . 12.9 t -65.7 -31.37 72.34 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.244 0.617 . . . . 64.34 111.822 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.0 -30.47 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.393 0.677 . . . . 74.45 110.965 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.93 -9.2 26.63 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.19 0.596 . . . . 74.32 110.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.4 t30 54.5 57.73 5.53 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.979 1.312 . . . . 71.51 110.359 -173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.11 116.67 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 114.238 -1.346 . . . . 70.31 110.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 162' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' B' ' 165' ' ' SER . 9.5 pt20 -85.29 155.15 21.48 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.373 0.606 . . . . 73.43 110.816 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 14.2 ptmm? -63.58 133.02 53.02 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.163 -0.926 . . . . 74.54 109.625 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 67.14 22.64 9.77 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.231 -1.349 . . . . 55.41 112.051 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' B' ' 162' ' ' GLN . 10.9 t -64.94 142.9 58.28 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 121.071 -0.252 . . . . 55.11 110.628 170.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.6 126.18 45.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.019 -0.734 . . . . 72.23 109.019 174.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.608 HD23 HD11 ' B' ' 150' ' ' LEU . 3.5 mp -122.7 124.37 43.25 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.516 -1.291 . . . . 60.31 107.516 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.4 tt -93.64 100.65 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 122.459 1.123 . . . . 70.41 110.324 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 141' ' ' GLN . 52.4 tp -77.31 106.87 9.32 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.995 -1.457 . . . . 64.34 109.863 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.36 162.73 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.421 -1.263 . . . . 75.11 109.028 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.603 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . 4.2 mp -87.81 176.83 7.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.36 -0.978 . . . . 53.41 108.36 170.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.559 1.311 0 C-N-CA 124.963 1.305 . . . . 62.41 113.024 175.706 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.548 0.213 . . . . 70.43 110.735 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -82.57 -47.8 11.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 122.86 0.464 . . . . 73.35 111.345 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 19.1 pt20 -57.07 -46.39 82.53 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 123.715 0.634 . . . . 62.12 111.716 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 16.0 ptpt -60.02 -44.38 94.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.764 0.665 . . . . 64.32 110.826 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.273 0.629 . . . . 64.45 111.238 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.17 -40.5 85.79 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.771 0.669 . . . . 74.41 109.83 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 750' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 24.8 mm-40 -69.51 -44.15 71.63 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.083 -0.962 . . . . 64.41 111.678 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 45.0 mt -69.35 -34.58 74.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.662 0.385 . . . . 61.33 110.742 -177.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.62 -37.01 68.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.848 -0.797 . . . . 61.15 108.848 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 753' ' ' LEU . . . . . 0.475 HD11 HE22 ' A' ' 49' ' ' GLN . 0.5 OUTLIER -67.21 -38.5 85.41 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 109.695 -0.483 . . . . 73.53 109.695 175.317 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.422 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 17.6 m-30 -63.98 -39.89 95.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.794 0.838 . . . . 72.11 108.847 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.44 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 17.1 t-105 -66.94 -36.73 82.9 Favored 'General case' 0 C--O 1.195 -1.808 0 CA-C-N 114.456 -1.247 . . . . 62.32 110.503 173.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -62.32 -37.45 85.66 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.768 0.713 . . . . 55.32 110.623 176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.587 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.4 m-85 -65.65 -60.76 2.58 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.865 -0.607 . . . . 61.21 109.964 177.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.08 -36.18 76.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 124.252 0.97 . . . . 64.3 111.042 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' C' ' 755' ' ' TRP . 7.7 tt0 -67.21 -53.86 26.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.583 0.753 . . . . 74.14 109.68 -177.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.41 65.71 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.243 0.617 . . . . 62.22 111.283 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.468 ' HE2' HD22 ' C' ' 765' ' ' LEU . 27.0 ttt -70.38 -44.65 67.63 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.148 -0.933 . . . . 65.34 109.931 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.798 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 78.8 mt -74.68 -19.42 60.27 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.343 1.057 . . . . 72.44 111.665 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 63.2 m -70.95 -25.06 62.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.196 0.998 . . . . 73.13 111.101 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -109.0 -56.59 2.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.397 -0.964 . . . . 72.41 108.397 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' C' ' 761' ' ' MET . 8.4 mp -80.31 78.92 6.96 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.339 1.456 . . . . 64.54 108.222 172.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.99 43.31 0.43 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 112.121 0.415 . . . . 63.33 112.121 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 14.8 p 173.33 118.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.982 1.713 . . . . 63.21 109.649 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.51 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 2.6 pp -164.82 161.54 20.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.27 0.628 . . . . 70.5 111.354 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 13.3 t -86.89 155.01 20.41 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 122.961 0.504 . . . . 71.43 109.779 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.22 -30.61 60.32 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 124.273 1.029 . . . . 74.34 110.197 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.3 -59.74 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.498 1.119 . . . . 75.13 112.402 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.51 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 99.6 mtt180 -52.25 -52.5 52.16 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.983 0.913 . . . . 65.12 111.746 -174.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -74.04 -29.9 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.718 -1.128 . . . . 71.22 111.544 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -68.17 -41.32 81.68 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 109.423 -0.584 . . . . 73.54 109.423 173.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.03 -49.65 73.75 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.816 0.698 . . . . 73.11 110.251 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 776' ' ' MET . . . . . 0.44 ' HG2' ' HA ' ' C' ' 773' ' ' ILE . 19.1 ptp -65.99 -46.43 78.06 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 115.908 -0.587 . . . . 73.4 110.613 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.605 HD23 HD21 ' C' ' 795' ' ' LEU . 6.9 mp -59.44 -37.04 77.11 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 118.052 0.387 . . . . 72.35 111.586 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.3 tpt180 -68.14 -37.1 80.69 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.595 -0.729 . . . . 73.03 110.356 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 779' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 66' ' ' ALA . 61.6 ttp -61.99 -51.29 68.65 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.739 -0.664 . . . . 65.43 110.754 174.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 780' ' ' PHE . . . . . 0.494 ' HZ ' HG21 ' A' ' 68' ' ' ILE . 37.8 m-85 -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.978 0.511 . . . . 54.53 111.281 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.529 HG11 HG12 ' C' ' 790' ' ' ILE . 2.7 p -75.19 -36.65 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.173 -0.467 . . . . 65.35 111.113 -177.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.9 p -74.54 -33.91 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.131 0.423 . . . . 63.12 111.454 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.7 p -69.53 -21.87 63.62 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 54.54 112.522 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.35 -175.51 14.01 Favored Glycine 0 N--CA 1.469 0.846 0 CA-C-O 119.796 -0.447 . . . . 74.33 113.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.49 -22.69 12.09 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.941 2.427 . . . . 63.3 112.183 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 786' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' C' ' 750' ' ' GLU . . . 25.93 -88.94 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.792 2.437 . . . . 72.44 115.915 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.17 30.03 0.87 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.73 0.812 . . . . 70.53 109.705 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 61.84 48.51 5.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.659 1.183 . . . . 62.13 112.654 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 72.81 119.04 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.416 1.487 . . . . 54.42 112.517 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.529 HG12 HG11 ' C' ' 781' ' ' VAL . 26.8 pt -65.13 174.36 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.318 1.047 . . . . 72.44 111.186 173.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.95 160.12 42.28 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.077 -0.712 . . . . 62.04 109.077 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.09 -48.84 78.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.206 0.602 . . . . 61.43 112.492 -174.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.17 69.69 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.807 0.731 . . . . 73.44 111.561 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.77 -34.47 52.31 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.105 0.479 . . . . 72.01 110.442 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.605 HD21 HD23 ' C' ' 777' ' ' LEU . 0.4 OUTLIER -83.84 -53.04 5.88 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.719 0.808 . . . . 61.31 109.371 -173.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -49.73 -41.18 43.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.315 0.646 . . . . 74.31 109.608 164.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -52.55 -44.98 59.83 Favored Glycine 0 C--N 1.356 1.678 0 O-C-N 124.163 0.914 . . . . 52.45 114.008 170.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 15.9 t80 -61.03 -50.8 71.89 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.429 0.691 . . . . 72.43 110.924 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' C' ' 773' ' ' ILE . 3.9 mm? -61.47 -50.84 71.16 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.059 -0.519 . . . . 71.53 111.703 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.68 -31.77 73.14 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.049 0.843 . . . . 63.53 109.759 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 801' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.1 OUTLIER -61.5 -56.49 19.51 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 107.843 -1.169 . . . . 74.54 107.843 173.603 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 75.6 mmtt -53.67 -40.23 65.76 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 124.312 1.008 . . . . 51.44 112.604 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.1 -45.66 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.828 0.451 . . . . 71.34 110.681 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -78.05 -10.0 59.4 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.919 0.488 . . . . 72.32 111.725 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -92.48 -4.65 53.3 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.77 1.228 . . . . 65.45 111.547 170.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.26 14.44 9.72 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.297 1.439 . . . . 63.21 112.355 -176.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -85.58 -11.41 54.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.233 1.013 . . . . 65.1 110.998 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.6 OUTLIER -149.16 150.2 32.27 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.369 0.668 . . . . 55.32 109.37 -176.81 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 809' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' C' ' 818' ' ' PRO . 68.7 t -105.3 143.9 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.347 1.059 . . . . 71.43 110.403 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -121.66 115.84 23.48 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.505 1.122 . . . . 63.55 108.136 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -91.06 -144.66 0.18 Allowed 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.181 -1.044 . . . . 75.12 108.181 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.28 77.64 1.33 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.459 0.572 . . . . 44.14 110.262 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.7 79.76 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.391 -0.822 . . . . 65.11 113.555 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 32.3 m -133.42 150.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.095 0.558 . . . . 75.1 110.513 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -100.98 147.27 26.37 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.206 0.602 . . . . 64.11 110.974 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' C' ' 762' ' ' LEU . 11.1 ptt180 -159.74 146.09 16.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.0 -1.0 . . . . 54.25 109.431 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.798 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 1.9 tp -80.31 138.64 52.06 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 117.96 0.345 . . . . 70.25 110.202 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 818' ' ' PRO . . . . . 0.402 ' HD3' HG23 ' C' ' 809' ' ' VAL . 38.2 Cg_endo . . . . . 0 C--N 1.366 1.479 0 C-N-CA 121.919 1.746 . . . . 73.2 110.878 170.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.53 -0.628 . . . . 54.15 111.53 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.79 147.28 22.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.496 0.718 . . . . 74.15 109.326 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.526 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 2.9 pm0 -93.93 155.89 16.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.11 0.564 . . . . 63.13 109.551 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -126.34 152.4 33.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 108.418 -0.956 . . . . 72.13 108.418 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -106.6 114.12 28.04 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.934 -1.506 . . . . 75.43 106.934 166.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 p -105.44 110.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 122.126 0.965 . . . . 71.41 108.535 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.471 ' HB2' HG22 ' B' ' 168' ' ' ILE . 12.4 m-20 -91.0 104.33 16.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 75.25 110.699 -166.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.0 p -89.52 108.58 19.74 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.279 -1.008 . . . . 74.34 108.279 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.49 136.87 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.715 0.806 . . . . 73.0 110.068 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.23 118.65 21.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.203 1.001 . . . . 74.22 109.148 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -109.97 116.5 31.71 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.136 -1.061 . . . . 75.34 108.136 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.7 129.34 14.08 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.087 0.47 . . . . 63.15 111.25 -171.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 8.6 m -88.64 115.99 26.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.508 -0.769 . . . . 72.25 110.098 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 12.9 mt -93.26 157.58 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 108.709 -0.849 . . . . 52.41 108.709 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -120.64 121.82 39.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.089 -1.078 . . . . 75.51 108.089 174.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 105' ' ' VAL . 1.2 pt? -137.66 163.88 30.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.231 0.612 . . . . 74.43 110.068 -177.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -107.81 137.08 46.46 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.483 0.713 . . . . 75.2 109.404 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.1 163.05 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.379 -1.282 . . . . 75.45 108.352 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -115.63 148.54 41.29 Favored Pre-proline 0 N--CA 1.488 1.462 0 CA-C-N 118.389 0.54 . . . . 50.14 109.937 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.0 Cg_endo -65.3 -26.47 56.26 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.744 2.296 . . . . 72.42 112.672 -175.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p -83.18 -16.29 47.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.507 0.723 . . . . 70.11 111.856 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.07 159.6 34.41 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 109.673 -0.492 . . . . 74.0 109.673 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -89.17 160.01 17.19 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.834 0.709 . . . . 65.0 110.548 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.57 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 31.6 mm -69.76 -25.29 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 114.336 -1.302 . . . . 75.14 110.089 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 27' ' ' LYS . 12.7 pt-20 -60.49 -23.27 64.37 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 124.171 0.988 . . . . 72.41 111.551 -176.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -63.8 -54.65 31.81 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.139 0.899 . . . . 62.44 109.598 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -47.24 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.003 -0.999 . . . . 54.02 109.733 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -58.42 -45.09 89.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.555 1.542 . . . . 64.41 111.393 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.24 73.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.118 -0.492 . . . . 64.52 110.932 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 53.6 mtmt -64.72 -51.15 63.93 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 123.686 0.616 . . . . 64.35 111.047 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.558 ' HB ' HD11 ' A' ' 36' ' ' ILE . 13.9 pt -67.94 -30.14 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 117.686 0.221 . . . . 75.51 110.925 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.7 -45.97 84.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 110.382 -0.229 . . . . 64.4 110.382 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.59 -45.63 86.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.56 0.744 . . . . 72.32 110.877 -174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 66.3 mmtt -84.44 -51.22 7.1 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.298 -0.865 . . . . 54.12 110.999 -172.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.78 -4.31 23.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.172 0.589 . . . . 64.1 112.268 -167.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.52 29.54 65.7 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.45 0.468 . . . . 34.12 114.151 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.558 HD11 ' HB ' ' A' ' 30' ' ' ILE . 23.7 pt -102.58 102.34 25.51 Favored Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 123.474 0.709 . . . . 72.42 111.101 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.38 146.12 79.51 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.717 2.278 . . . . 75.31 111.753 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -45.86 -39.73 19.3 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 124.771 3.648 . . . . 64.14 114.394 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.63 -39.17 91.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.631 0.772 . . . . 63.11 112.254 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -83.16 -23.65 32.84 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.401 0.62 . . . . 74.15 111.594 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.56 129.24 36.17 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.858 1.663 . . . . 73.34 109.526 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -132.38 70.79 1.46 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.814 0.846 . . . . 61.42 109.229 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.25 127.26 33.49 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.121 0.486 . . . . 41.2 110.027 177.134 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.629 HG12 ' HG3' ' A' ' 49' ' ' GLN . 22.8 mt -125.28 139.13 52.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 C-N-CA 123.583 0.753 . . . . 72.21 109.524 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -127.5 94.54 4.0 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.682 1.193 . . . . 62.31 109.039 -173.703 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.42 36.69 27.62 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.751 0.821 . . . . 74.43 111.201 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 -1.2 62.26 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 115.252 -0.885 . . . . 33.45 114.734 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -105.67 114.18 28.19 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.412 0.685 . . . . 64.02 110.763 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.629 ' HG3' HG12 ' A' ' 44' ' ' ILE . 2.7 mp0 -84.03 113.48 21.05 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.255 -1.017 . . . . 54.22 108.255 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 43' ' ' LEU . 22.1 mt -77.12 113.7 15.13 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.385 -0.37 . . . . 73.02 111.296 -167.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 3.0 tm-20 -80.18 129.73 34.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 105.652 -1.981 . . . . 73.43 105.652 173.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.57 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p-10 -65.73 -26.77 67.89 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.439 0.533 . . . . 42.32 112.439 -165.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.67 11.01 62.86 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 119.694 -0.503 . . . . 40.24 113.601 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' HG2' ' HB3' ' A' ' 51' ' ' GLU . 20.7 mmt85 -93.96 174.76 7.0 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.041 -0.726 . . . . 73.34 109.041 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 p -101.18 169.66 8.77 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.105 -0.702 . . . . 74.13 109.105 172.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.1 mm? -69.26 -36.46 77.15 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 109.093 -0.706 . . . . 74.43 109.093 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 14.8 t -68.1 -26.95 66.07 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.924 0.889 . . . . 75.43 110.986 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.89 -28.63 51.96 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.949 0.9 . . . . 63.05 111.516 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.488 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.1 m-85 -110.04 2.9 19.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.334 0.654 . . . . 73.44 112.718 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.66 32.78 13.62 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.788 0.804 . . . . 72.21 110.475 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 56' ' ' LEU . 96.2 mt -64.65 116.28 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.96 0.904 . . . . 65.43 109.515 177.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -123.26 -177.6 3.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.631 1.173 . . . . 64.4 109.659 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -70.31 141.93 52.29 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 120.889 0.376 . . . . 65.42 111.838 -172.447 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.8 31.47 21.26 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.402 1.689 . . . . 74.25 112.361 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -83.76 138.89 33.05 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.406 -0.815 . . . . 73.35 109.444 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 107.87 19.85 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.399 0.679 . . . . 65.24 111.576 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.6 tt -95.46 135.12 37.5 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.989 -1.486 . . . . 73.55 106.989 174.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.485 HD12 ' HE3' ' C' ' 776' ' ' MET . 2.6 tt -114.77 125.59 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 108.739 -0.837 . . . . 73.31 108.739 170.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HB3' ' HA ' ' B' ' 107' ' ' THR . 37.8 tp -87.62 127.77 35.27 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.133 -0.691 . . . . 74.0 109.133 172.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 757' ' ' TYR . 4.0 mp -115.41 158.05 23.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.28 -1.378 . . . . 74.33 107.28 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.49 170.14 8.79 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 109.568 -0.53 . . . . 52.42 109.568 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.9 m -32.97 107.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.618 1.567 . . . . 71.01 113.38 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' C' ' 763' ' ' THR . 0.5 OUTLIER -72.88 -32.84 65.66 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.812 -0.631 . . . . 74.15 111.564 177.038 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG2' HD13 ' A' ' 73' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 123.433 0.693 . . . . 75.04 109.761 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.129 -0.389 . . . . 74.4 112.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -99.74 147.62 25.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.257 0.551 . . . . 74.34 109.913 175.655 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 152.7 22.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 70.05 109.581 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.91 157.68 20.56 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 123.248 0.619 . . . . 63.04 109.586 168.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 26.8 m-85 -111.8 110.51 20.9 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.199 -1.037 . . . . 75.03 108.199 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 15' ' ' LEU . 29.7 m -103.4 107.17 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-O 121.727 0.775 . . . . 74.3 110.297 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 32.5 t0 -81.99 98.31 8.53 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.618 -0.882 . . . . 55.41 108.618 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.587 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 9.5 t -97.33 137.01 36.98 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 115.795 -0.639 . . . . 73.32 112.439 -168.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.541 HG12 HD21 ' C' ' 765' ' ' LEU . 27.5 m -95.4 130.9 43.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.612 -1.176 . . . . 73.13 109.738 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -128.89 98.32 4.92 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.052 -0.721 . . . . 74.02 109.052 171.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -102.7 127.52 49.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.91 1.284 . . . . 74.32 108.814 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.39 109.99 6.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.499 0.72 . . . . 70.25 109.804 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 60.5 m -81.28 109.97 16.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.495 0.718 . . . . 73.21 109.9 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mm -95.99 169.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 108.242 -1.021 . . . . 73.2 108.242 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 35.5 m -132.32 138.12 47.68 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.559 -0.713 . . . . 73.23 110.553 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.51 167.38 22.29 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.093 0.957 . . . . 71.13 109.062 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 1.4 tm-20 -125.02 132.13 53.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.144 -1.428 . . . . 74.14 107.144 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.35 164.09 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 117.865 0.302 . . . . 55.53 111.314 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -104.31 151.42 39.09 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.364 -0.606 . . . . 72.21 109.364 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.41 -34.37 34.71 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.447 2.098 . . . . 72.15 112.096 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -75.74 -15.75 60.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 122.829 0.452 . . . . 70.43 111.802 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.67 148.06 50.96 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.983 -0.377 . . . . 73.32 109.983 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 7.7 p -77.9 161.95 27.2 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.791 0.682 . . . . 64.13 110.035 169.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.56 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 46.5 mm -64.94 -27.76 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.262 -0.881 . . . . 71.33 109.447 172.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -43.35 -45.34 6.0 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.505 1.522 . . . . 74.45 111.721 170.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 23.3 m120 -55.87 -54.35 45.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.702 0.626 . . . . 74.33 110.737 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.18 -52.01 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.087 0.955 . . . . 73.4 111.216 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.12 73.54 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.066 -0.515 . . . . 54.44 111.808 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.99 60.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.585 0.354 . . . . 72.13 111.407 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 9.2 mmpt? -74.57 -49.06 23.27 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.998 -0.371 . . . . 75.41 109.998 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.544 ' HB ' HD12 ' B' ' 136' ' ' ILE . 16.4 pt -67.86 -27.1 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 121.905 0.082 . . . . 64.53 111.103 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.52 -41.64 68.97 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.356 0.662 . . . . 75.0 111.256 170.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.91 -50.02 75.39 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.448 0.642 . . . . 53.55 110.002 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -75.94 -70.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.441 -1.254 . . . . 74.43 111.034 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.39 -10.59 27.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.139 0.576 . . . . 73.02 112.271 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.96 31.96 54.29 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 120.053 -0.304 . . . . 75.2 113.298 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.544 HD12 ' HB ' ' B' ' 130' ' ' ILE . 52.5 mt -75.59 111.18 13.04 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.222 0.609 . . . . 74.43 110.033 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' B' ' 141' ' ' GLN . 10.8 Cg_exo -71.9 123.21 9.14 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.411 2.741 . . . . 73.34 111.937 -174.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.29 -28.85 73.84 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 123.891 3.061 . . . . 64.44 112.593 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.015 -1.448 . . . . 75.04 110.838 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.454 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 75.7 mt-30 -109.25 20.71 17.99 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.989 0.915 . . . . 71.0 111.306 -172.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 137' ' ' PRO . 24.9 tt0 -102.38 100.02 10.13 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.911 0.884 . . . . 60.02 109.698 -171.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -87.74 94.03 9.62 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.342 -0.984 . . . . 72.41 108.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 150' ' ' LEU . 4.1 mp -77.47 143.88 38.18 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.351 -0.981 . . . . 74.53 108.351 174.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.06 119.61 11.7 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.987 -1.116 . . . . 65.12 107.987 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.597 ' HB2' HD21 ' B' ' 150' ' ' LEU . 28.1 t80 -133.35 100.42 4.83 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 107.991 -1.114 . . . . 65.41 107.991 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.45 32.77 6.87 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.036 0.835 . . . . 71.44 110.995 -171.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.29 2.58 65.8 Favored Glycine 0 C--N 1.358 1.775 0 N-CA-C 115.016 0.766 . . . . 73.2 115.016 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -111.12 127.84 55.7 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 117.826 0.813 . . . . 72.2 110.145 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.96 137.52 38.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 170.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -91.21 103.09 15.81 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.439 -0.948 . . . . 73.44 108.439 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.44 131.95 47.71 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 109.169 -0.678 . . . . 53.22 109.169 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.7 p-10 -62.0 -28.83 69.85 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.361 1.064 . . . . 71.21 113.03 -169.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.31 3.42 81.54 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 119.718 -0.49 . . . . 51.01 114.076 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.72 176.59 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.018 0.927 . . . . 74.3 108.842 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 3.5 p -112.51 169.4 8.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.24 0.616 . . . . 73.24 110.426 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -38.95 88.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.865 -1.061 . . . . 71.01 109.147 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.2 t -62.93 -38.45 91.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.597 0.759 . . . . 61.11 110.391 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.93 -23.88 55.43 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.887 0.875 . . . . 75.02 111.688 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -111.13 0.64 16.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.56 0.744 . . . . 73.13 112.579 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.48 55.91 8.02 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 122.298 1.047 . . . . 64.04 110.125 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.4 mm -69.35 117.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 114.616 -1.174 . . . . 64.11 109.974 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 162' ' ' GLN . . . . . 0.509 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -87.43 150.55 23.71 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 123.393 0.677 . . . . 74.33 110.026 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.97 144.86 32.26 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.872 -0.788 . . . . 64.21 108.872 170.087 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.258 0.2 OUTLIER 54.8 24.08 5.41 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.665 1.586 . . . . 65.44 113.417 -177.315 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 64.7 p -60.64 138.11 58.1 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 119.668 -0.206 . . . . 75.45 111.28 168.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.97 34.48 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.413 -0.588 . . . . 72.11 109.413 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 109.09 7.92 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.254 -1.017 . . . . 42.41 108.254 -171.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 6' ' ' ASP . 3.5 pt -98.84 141.4 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 CA-C-N 118.816 0.735 . . . . 72.25 111.019 -170.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 91.7 mt -106.43 113.48 27.02 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.999 1.32 . . . . 65.12 109.283 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.85 159.58 16.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.336 1.054 . . . . 73.03 109.391 170.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.19 154.44 39.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.646 -0.501 . . . . 52.44 109.646 168.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.454 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.4 t . . . . . 0 N--CA 1.49 1.558 0 C-N-CA 125.247 1.419 . . . . 70.23 113.204 -175.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 744' ' ' ALA . . . . . 0.437 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . . . . . . 0 C--O 1.245 0.864 0 N-CA-C 112.142 0.423 . . . . 73.21 112.142 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -52.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 124.75 1.281 . . . . 43.22 111.108 -170.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 0.4 OUTLIER -45.92 -51.94 12.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.382 1.473 . . . . 73.45 113.589 -176.792 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 38.9 mtmt -60.19 -56.4 22.07 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.65 0.738 . . . . 44.22 111.101 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -48.06 -42.96 29.94 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 113.754 -1.566 . . . . 60.14 111.751 172.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 749' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' C' ' 753' ' ' LEU . 42.9 mt-10 -70.96 -29.6 65.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.379 -0.828 . . . . 73.54 110.858 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 750' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 14.6 mm-40 -65.98 -43.91 86.41 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.944 -0.762 . . . . 75.03 108.944 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.7 -47.6 84.0 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.298 0.999 . . . . 74.44 110.365 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.42 -29.93 69.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.677 -1.147 . . . . 61.43 109.797 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 753' ' ' LEU . . . . . 0.497 HD21 ' OE1' ' A' ' 49' ' ' GLN . 1.3 tm? -75.75 -33.39 60.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.029 0.932 . . . . 75.02 110.092 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -70.3 -31.73 69.18 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.198 -0.668 . . . . 73.03 109.198 172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.405 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 26.0 t-105 -74.72 -31.87 61.98 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.16 -0.473 . . . . 73.04 110.792 172.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 37.7 m -67.36 -32.71 73.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.887 -0.782 . . . . 70.25 108.887 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.445 ' HA ' HD21 ' A' ' 70' ' ' LEU . 10.3 m-85 -62.49 -67.95 0.37 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 115.707 -0.679 . . . . 75.53 109.636 170.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.47 -30.91 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 O-C-N 123.563 0.539 . . . . 64.14 111.981 -166.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' C' ' 817' ' ' LEU . 7.3 tt0 -76.25 -54.88 6.15 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.134 -0.354 . . . . 70.32 110.833 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -70.43 -19.09 63.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.95 0.5 . . . . 55.32 111.876 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.677 ' HB2' HD12 ' C' ' 765' ' ' LEU . 26.6 ptm -85.19 -53.02 5.52 Favored 'General case' 0 CA--C 1.556 1.175 0 CA-C-O 118.796 -0.621 . . . . 71.31 110.036 170.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.491 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 24.2 mt -67.83 -17.13 64.41 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 118.966 0.803 . . . . 74.43 112.779 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 763' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.2 t -64.45 -18.49 64.8 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.555 0.693 . . . . 65.32 110.315 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.09 -44.74 3.9 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.179 0.992 . . . . 64.25 109.949 171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' C' ' 761' ' ' MET . 33.5 mt -97.03 25.99 5.0 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.438 1.095 . . . . 64.03 112.461 -164.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.423 ' HA ' HD22 ' C' ' 762' ' ' LEU . 5.7 pt-20 -64.24 76.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.655 0.983 . . . . 62.55 113.655 -170.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 26.3 m -174.52 20.21 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.328 1.451 . . . . 60.52 110.511 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.547 HD23 HH11 ' C' ' 772' ' ' ARG . 98.5 mt -104.41 118.98 37.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.946 -0.471 . . . . 72.24 110.759 -166.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 769' ' ' SER . . . . . 0.6 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 23.0 t -66.28 162.53 19.93 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.593 0.757 . . . . 60.22 111.325 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' C' ' 815' ' ' TYR . 0.2 OUTLIER -54.5 -43.89 72.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 114.334 -1.303 . . . . 73.43 110.292 178.649 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.24 -44.33 75.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.801 0.84 . . . . 72.04 111.994 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.547 HH11 HD23 ' C' ' 768' ' ' LEU . 76.3 mtt180 -64.87 -59.75 3.84 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.175 -0.92 . . . . 71.04 109.959 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.436 HD11 HD11 ' C' ' 799' ' ' LEU . 2.6 pp -66.58 -20.44 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.357 -1.292 . . . . 64.23 110.858 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.85 -57.94 7.53 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.487 0.715 . . . . 73.11 109.538 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -56.43 -38.56 71.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.824 0.702 . . . . 71.24 111.223 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 776' ' ' MET . . . . . 0.485 ' HE3' HD12 ' A' ' 68' ' ' ILE . 68.7 mtp -62.98 -59.1 5.29 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.473 -0.785 . . . . 65.4 111.724 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.491 HD22 HD13 ' C' ' 795' ' ' LEU . 7.3 mp -60.61 -32.1 71.24 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.242 0.617 . . . . 74.42 112.157 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -58.65 -53.43 58.4 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 123.988 0.805 . . . . 63.13 109.697 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 779' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' C' ' 780' ' ' PHE . 1.3 tmt? -50.2 -56.57 10.51 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.825 0.703 . . . . 73.31 110.37 173.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 780' ' ' PHE . . . . . 0.452 ' CD1' ' SD ' ' C' ' 779' ' ' MET . 16.7 m-85 -58.99 -33.39 70.64 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 113.376 0.88 . . . . 75.44 113.376 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.463 HG21 ' H ' ' C' ' 790' ' ' ILE . 3.6 p -88.94 -29.88 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 112.145 0.424 . . . . 73.42 112.145 -175.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.98 -26.8 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 122.583 0.353 . . . . 71.41 111.154 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 20.3 p -65.23 -24.81 67.44 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.43 0.456 . . . . 75.11 111.145 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -116.12 170.46 13.35 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 123.918 0.761 . . . . 63.01 111.889 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -82.81 4.68 6.92 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.802 2.335 . . . . 64.0 111.878 169.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.43 112.87 0.65 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.963 1.705 . . . . 70.21 112.075 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 13.6 mt 66.34 9.02 6.09 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.792 1.237 . . . . 71.42 112.237 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 54.87 38.97 31.23 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.442 1.097 . . . . 40.42 111.446 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 73.74 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.175 1.79 . . . . 74.43 111.483 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.463 ' H ' HG21 ' C' ' 781' ' ' VAL . 44.6 pt -74.23 156.71 6.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 123.34 0.656 . . . . 71.11 110.631 172.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.96 173.01 6.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.613 1.165 . . . . 72.01 108.943 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.55 -49.82 66.84 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.951 1.3 . . . . 63.42 111.631 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -68.25 -29.47 68.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.561 0.344 . . . . 63.43 111.281 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.11 -51.73 43.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.154 0.582 . . . . 74.51 110.127 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.491 HD13 HD22 ' C' ' 777' ' ' LEU . 16.8 tp -68.2 -53.23 26.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.406 -0.815 . . . . 71.4 111.198 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.36 -40.86 87.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.543 0.737 . . . . 74.53 110.619 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.62 96.04 Favored Glycine 0 C--N 1.351 1.395 0 O-C-N 123.913 0.758 . . . . 62.33 113.364 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.405 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 31.2 t80 -64.81 -43.89 91.66 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.469 0.708 . . . . 75.05 110.289 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.436 HD11 HD11 ' C' ' 773' ' ' ILE . 52.6 mt -69.88 -42.27 73.66 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.709 1.204 . . . . 52.42 111.384 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.24 -47.82 83.94 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.419 1.088 . . . . 74.22 109.495 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -51.05 71.02 Favored 'General case' 0 C--O 1.211 -0.936 0 O-C-N 124.68 1.238 . . . . 71.13 110.355 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' C' ' 808' ' ' LEU . 0.0 OUTLIER -56.78 -41.57 77.91 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.907 1.283 . . . . 54.44 113.551 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.7 t -70.63 -41.42 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.664 0.786 . . . . 50.24 110.393 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.45 -10.4 59.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.309 0.644 . . . . 62.34 111.483 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.58 -4.37 59.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.202 1.001 . . . . 71.33 108.985 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 70.54 12.03 7.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.755 1.622 . . . . 73.42 112.603 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.6 8.97 23.02 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.326 0.651 . . . . 74.43 111.389 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 1.2 tt -145.85 143.3 29.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.725 -1.583 . . . . 73.52 106.725 169.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 39.8 t -112.62 124.82 69.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 123.495 0.718 . . . . 65.35 109.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -93.39 107.12 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.83 -1.174 . . . . 73.25 107.83 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.42 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.6 t -79.4 -153.32 0.07 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 108.208 -1.034 . . . . 70.12 108.208 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -67.94 77.63 0.22 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.719 0.69 . . . . 70.42 110.417 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.46 13.14 77.45 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.066 -0.97 . . . . 54.25 114.361 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' C' ' 769' ' ' SER . 11.4 m -124.47 147.7 28.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 117.855 0.827 . . . . 64.0 110.183 175.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 815' ' ' TYR . . . . . 0.412 ' HE2' ' HB2' ' C' ' 770' ' ' LEU . 92.0 m-85 -94.86 134.39 37.55 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.291 0.636 . . . . 70.12 110.226 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.412 ' HB2' ' HB2' ' C' ' 766' ' ' GLU . 5.1 ppt_? -154.66 142.75 20.26 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.772 -1.104 . . . . 72.44 108.616 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.491 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 73.0 mt -85.52 142.26 37.29 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 112.025 0.38 . . . . 54.22 112.025 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--N 1.378 2.12 0 C-N-CA 122.877 2.385 . . . . 71.42 111.866 172.251 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.857 -0.497 . . . . 64.42 111.857 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.62 149.2 31.1 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.169 0.588 . . . . 72.12 110.303 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.7 OUTLIER -97.6 149.84 21.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.837 -0.801 . . . . 73.21 108.837 -173.41 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' B' ' 165' ' ' SER . 25.4 pt -137.93 153.53 27.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 CA-C-O 121.265 0.555 . . . . 71.12 110.521 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.496 ' HB3' HG23 ' B' ' 112' ' ' THR . 22.6 m-85 -106.64 108.15 19.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.152 -1.385 . . . . 74.13 108.167 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.638 HG11 HG21 ' B' ' 130' ' ' ILE . 35.1 t -96.77 97.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.45 -0.944 . . . . 63.0 108.45 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.03 109.21 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.327 -0.62 . . . . 43.51 109.327 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 7.7 t -90.05 142.72 27.44 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.745 -0.661 . . . . 41.33 109.439 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.58 120.0 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 122.081 0.943 . . . . 63.44 108.967 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -101.76 84.75 2.6 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.888 -1.051 . . . . 52.11 108.713 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.52 ' HB2' HD11 ' C' ' 765' ' ' LEU . 8.5 t-105 -100.72 103.14 14.38 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 105.762 -1.94 . . . . 73.32 105.762 168.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -152.7 131.78 12.65 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.483 0.549 . . . . 72.4 112.483 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.514 HG22 ' HB3' ' B' ' 104' ' ' PHE . 5.2 m -92.8 107.27 19.09 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.394 -1.275 . . . . 75.1 109.11 176.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 mt -94.42 170.45 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.754 1.222 . . . . 72.24 109.244 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.9 m -125.65 133.88 52.05 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.391 0.676 . . . . 71.1 110.257 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -136.65 169.32 17.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.665 1.186 . . . . 70.13 108.528 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' B' ' 102' ' ' GLN . 31.0 mt-10 -120.2 145.61 46.82 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.569 0.748 . . . . 52.54 110.49 173.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -154.36 167.51 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 CA-C-N 114.741 -1.118 . . . . 74.04 110.622 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 40.1 mm-40 -100.59 148.32 34.82 Favored Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 123.544 0.738 . . . . 74.24 110.593 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 54.0 Cg_endo -67.38 -32.82 31.6 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.995 2.463 . . . . 32.1 112.433 -178.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -90.87 -3.29 57.47 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.222 -0.899 . . . . 72.52 111.813 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.67 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -77.97 170.72 16.12 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.847 0.459 . . . . 73.55 109.995 -178.299 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -89.3 163.72 15.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.741 0.781 . . . . 71.11 112.432 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 HD12 ' A' ' 50' ' ' LEU . 48.0 mm -78.87 -32.31 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 114.407 -1.27 . . . . 65.11 110.51 176.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -62.01 -30.12 70.74 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.378 0.671 . . . . 52.52 110.979 176.371 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.7 t30 -56.96 -59.18 5.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.969 -1.014 . . . . 75.51 109.896 170.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD11 ' A' ' 56' ' ' LEU . 44.2 t -58.94 -40.85 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.366 1.066 . . . . 54.32 110.828 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HD3' ' HG3' ' A' ' 38' ' ' PRO . 3.7 tmmm? -57.36 -49.25 76.77 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.079 1.351 . . . . 62.55 110.633 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.13 70.27 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.836 -0.62 . . . . 64.31 111.102 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.7 mmtp -65.85 -44.95 83.92 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.113 0.565 . . . . 74.44 111.189 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HB ' HD12 ' A' ' 36' ' ' ILE . 19.9 pt -73.27 -30.15 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 110.475 -0.194 . . . . 70.21 110.475 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -71.48 -27.35 63.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.05 0.54 . . . . 54.2 110.627 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.55 -51.31 10.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.873 0.869 . . . . 73.44 110.611 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -89.69 -46.91 8.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.422 -0.808 . . . . 63.02 111.633 -170.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.41 -22.62 17.04 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 122.875 0.47 . . . . 74.44 110.996 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 23.47 61.05 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.16 0.288 . . . . 52.44 113.694 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.496 HG21 HD22 ' A' ' 69' ' ' LEU . 83.0 mt -73.26 115.05 37.09 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 123.671 0.788 . . . . 75.11 110.756 -176.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.9 Cg_endo -83.74 108.29 1.43 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.635 2.89 . . . . 71.12 111.388 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HG3' ' HD3' ' A' ' 27' ' ' LYS . 54.9 Cg_endo -62.51 -30.76 80.11 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 123.417 2.745 . . . . 51.52 113.209 -172.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -39.61 78.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.789 1.236 . . . . 71.03 111.412 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -108.58 1.85 21.68 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.569 -0.741 . . . . 71.32 111.143 -178.192 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -124.27 98.94 5.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.571 -0.9 . . . . 71.52 108.571 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -78.34 107.28 10.84 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 109.32 -0.622 . . . . 71.23 109.32 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.5 mp -77.76 143.86 37.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.422 -0.808 . . . . 70.23 109.617 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 68.9 mt -140.49 128.2 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.029 0.932 . . . . 35.22 109.287 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HE1' ' HG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -114.33 107.26 15.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.447 1.099 . . . . 64.05 109.09 -178.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.92 28.14 17.18 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.072 0.858 . . . . 63.4 112.593 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.24 11.14 57.7 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.932 0.733 . . . . 64.23 114.932 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -132.06 114.01 14.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.526 0.663 . . . . 71.34 109.358 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 13.9 pt20 -66.86 137.91 56.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.83 0.852 . . . . 74.01 111.121 -174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 23' ' ' ILE . 3.6 mm? -73.96 152.15 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.131 0.572 . . . . 73.33 111.553 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -143.72 126.96 16.63 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.721 1.208 . . . . 63.54 108.466 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.696 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 56.1 m-20 -50.58 -41.78 54.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.575 1.55 . . . . 75.14 113.805 -169.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.02 54.52 Favored Glycine 0 C--N 1.336 0.581 0 CA-C-N 115.664 -0.698 . . . . 60.22 114.638 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.5 177.24 5.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.424 0.689 . . . . 73.34 109.887 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -106.19 166.4 10.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.218 1.007 . . . . 72.32 109.469 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.8 mm? -64.24 -55.49 21.19 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.199 0.6 . . . . 65.03 110.618 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -64.26 -14.77 57.81 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.354 0.872 . . . . 74.42 113.354 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.51 -38.77 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.396 0.678 . . . . 74.33 109.894 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.502 ' HB2' HG13 ' A' ' 61' ' ' ILE . 23.4 m-85 -94.1 4.29 54.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.676 0.79 . . . . 65.51 110.992 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.94 40.25 7.47 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.442 1.115 . . . . 62.24 109.517 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 59' ' ' TYR . 92.8 mt -73.79 94.81 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 114.315 -1.311 . . . . 75.02 109.597 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -89.42 -172.31 3.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.168 -1.378 . . . . 75.44 110.18 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 101' ' ' MET . 37.3 ttmt -70.97 151.9 44.17 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.654 -0.498 . . . . 60.14 109.654 173.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 51.41 22.61 1.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.89 2.076 . . . . 73.35 113.405 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.467 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 8.1 t -78.17 130.44 36.34 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.945 -0.761 . . . . 72.11 108.945 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.37 116.16 29.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.613 0.72 . . . . 55.21 111.528 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' LEU . 2.6 tt -91.01 125.88 35.93 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.916 -1.513 . . . . 54.12 106.916 172.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 tt -105.65 133.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.34 -0.985 . . . . 72.15 108.34 170.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD22 HG21 ' A' ' 36' ' ' ILE . 5.2 mp -107.13 113.56 27.08 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.071 -0.715 . . . . 70.51 109.071 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' C' ' 760' ' ' ALA . 4.6 mp -95.85 125.04 40.14 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.129 -1.434 . . . . 73.14 107.129 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' C' ' 764' ' ' ASN . 1.8 pp -74.77 175.11 8.28 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 111.67 0.248 . . . . 71.41 111.67 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 38.0 m -38.53 96.45 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.212 1.405 . . . . 72.1 112.608 174.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -84.65 -44.01 13.85 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.581 -1.266 . . . . 54.54 107.581 163.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.6 tpm_? . . . . . 0 C--O 1.258 1.51 0 CA-C-N 114.735 -1.12 . . . . 64.34 108.478 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' GLY . . . . . 0.483 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.476 1.331 0 N-CA-C 112.396 -0.282 . . . . 65.51 112.396 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -152.62 168.49 25.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.3 0.64 . . . . 64.31 110.654 -176.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.602 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 3.7 pm0 -119.28 125.41 49.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.825 -1.176 . . . . 71.2 107.825 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.25 174.5 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.187 0.595 . . . . 75.33 110.169 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 12' ' ' THR . 22.7 m-85 -114.92 143.82 44.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.757 -0.656 . . . . 53.51 109.568 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.46 106.71 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-O 121.876 0.846 . . . . 71.21 110.131 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.5 t0 -88.42 99.83 12.57 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.817 1.247 . . . . 74.4 109.097 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 9.7 t -103.77 138.7 40.01 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 123.476 0.71 . . . . 70.43 111.218 -173.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.494 HG23 HD13 ' C' ' 765' ' ' LEU . 1.8 p -108.51 108.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 114.576 -1.193 . . . . 71.43 108.44 169.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -142.13 163.14 33.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.809 0.844 . . . . 64.5 109.481 175.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -95.02 173.49 7.55 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.903 0.481 . . . . 55.34 109.866 170.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.5 114.13 4.03 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.653 -0.703 . . . . 61.54 109.457 167.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 4' ' ' PHE . 52.0 m -81.62 122.98 28.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.772 0.829 . . . . 64.23 110.351 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' B' ' 134' ' ' GLU . 15.0 mm -102.23 108.95 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.614 -0.884 . . . . 74.3 108.614 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.7 p -87.62 113.53 23.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 72.43 110.077 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.97 135.78 31.52 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 110.503 -0.184 . . . . 55.43 110.503 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.3 tt0 -79.79 141.79 35.94 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.992 -0.744 . . . . 73.01 108.992 173.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.98 167.46 26.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.05 0.94 . . . . 73.14 108.828 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -109.18 152.3 42.48 Favored Pre-proline 0 N--CA 1.477 0.919 0 N-CA-C 109.067 -0.716 . . . . 75.11 109.067 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.56 -34.41 75.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.179 1.919 . . . . 72.41 111.577 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.8 p -82.64 -1.63 51.58 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.353 1.061 . . . . 61.01 112.312 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -80.98 164.32 22.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 73.55 110.2 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.37 166.43 11.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.639 0.775 . . . . 74.11 110.313 170.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 154' ' ' ARG . 44.6 mm -64.66 -25.91 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.109 0.964 . . . . 74.01 110.395 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.19 -25.7 67.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.238 0.615 . . . . 62.44 111.027 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.91 -50.91 45.47 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 123.498 0.719 . . . . 71.05 109.929 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.08 -46.14 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.519 0.728 . . . . 74.32 109.707 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -52.08 -54.81 25.75 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.481 -1.69 . . . . 73.21 111.338 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.02 65.16 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.78 -0.645 . . . . 61.33 111.585 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -74.92 -46.34 36.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 62.11 110.984 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.638 HG21 HG11 ' A' ' 5' ' ' VAL . 26.9 pt -69.24 -29.68 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 120.874 0.369 . . . . 63.11 110.344 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -73.83 -36.46 64.94 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.562 0.745 . . . . 70.22 111.315 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.14 -49.4 57.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.464 0.706 . . . . 73.3 110.725 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -75.26 -60.99 2.05 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.503 -1.226 . . . . 43.01 110.976 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' B' ' 113' ' ' ILE . 38.7 mm-40 -102.25 -9.8 20.1 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.876 -0.602 . . . . 53.45 112.346 -166.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.62 16.77 80.44 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 119.256 -0.747 . . . . 74.43 113.56 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.58 HD12 ' HB ' ' B' ' 130' ' ' ILE . 71.1 mt -62.6 115.99 20.44 Favored Pre-proline 0 C--N 1.361 1.07 0 C-N-CA 123.032 0.533 . . . . 62.41 109.69 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 73.0 Cg_endo -80.72 113.76 2.86 Favored 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.456 2.104 . . . . 61.23 110.229 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.51 -38.96 30.34 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.85 2.367 . . . . 51.24 113.661 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.47 -34.02 75.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.325 -0.852 . . . . 75.22 110.705 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.532 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 14.8 tm0? -89.78 -24.15 21.56 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.103 0.961 . . . . 74.31 111.098 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -132.87 103.8 6.26 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.209 1.004 . . . . 73.44 108.751 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -84.7 130.8 34.65 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.533 0.733 . . . . 74.3 111.38 -174.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.78 134.67 35.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.516 0.726 . . . . 63.11 110.249 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 144' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' B' ' 168' ' ' ILE . 22.1 t70 -132.03 145.49 51.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.142 0.977 . . . . 74.34 109.183 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -130.76 103.62 6.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.882 0.873 . . . . 65.14 109.778 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.41 29.44 19.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.252 1.021 . . . . 75.51 112.557 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.29 -8.37 69.47 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 116.133 -0.485 . . . . 72.44 113.41 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -106.62 115.62 30.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.869 0.868 . . . . 73.24 109.403 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.73 149.03 50.49 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.361 0.664 . . . . 62.35 110.425 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 65.5 mt -92.34 122.12 34.49 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.793 -0.639 . . . . 71.0 109.63 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -70.32 126.84 30.81 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.241 -1.392 . . . . 71.24 107.241 171.231 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.04 -38.87 73.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.755 1.222 . . . . 75.44 113.498 -166.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -104.64 21.87 35.52 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.8 -0.444 . . . . 75.03 113.218 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 17.4 ttm180 -96.02 168.88 10.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.563 0.745 . . . . 75.22 109.268 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 m -102.78 153.76 19.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.926 0.785 . . . . 73.34 110.947 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.43 HD12 HG21 ' B' ' 161' ' ' ILE . 3.3 mm? -65.41 -40.61 93.6 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.522 0.729 . . . . 74.24 110.717 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 59.6 m -57.28 -35.62 70.03 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.157 0.583 . . . . 75.13 112.07 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.76 -33.39 66.55 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.056 0.848 . . . . 41.44 111.074 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.92 -9.95 27.39 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 119.103 -0.475 . . . . 64.51 111.002 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 60.24 54.09 4.15 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.465 1.126 . . . . 73.22 109.727 -174.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.43 HG21 HD12 ' B' ' 156' ' ' LEU . 3.7 mm -72.22 130.98 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 114.118 -1.401 . . . . 75.13 110.057 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.01 169.24 9.82 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 123.502 0.721 . . . . 73.02 110.831 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.53 143.33 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 115.362 -0.835 . . . . 55.12 108.785 171.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER 53.47 28.97 8.23 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.965 1.706 . . . . 74.34 114.118 -175.211 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 3' ' ' ILE . 67.5 m -64.21 111.47 2.6 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 110.24 -0.282 . . . . 65.25 110.24 162.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 166' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . . . -86.97 143.16 27.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.681 0.792 . . . . 42.11 110.53 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.4 mt -132.76 143.14 49.39 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.346 1.058 . . . . 64.31 109.91 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.6 tt -111.32 121.16 63.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.404 0.682 . . . . 74.25 109.884 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 5' ' ' VAL . 10.2 mp -87.59 119.56 28.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.541 -0.754 . . . . 73.54 110.52 171.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.37 164.87 11.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.468 1.107 . . . . 75.11 108.141 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.449 ' HG ' HG22 ' B' ' 172' ' ' THR . 28.9 tp -65.94 163.58 16.84 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 122.846 0.458 . . . . 72.02 110.614 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.1 t . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.436 1.494 . . . . 71.03 112.644 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 111.569 0.211 . . . . 61.43 111.569 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.7 -59.69 4.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.081 1.352 . . . . 55.24 112.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 11.1 pt20 -62.56 -37.81 87.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 124.285 0.991 . . . . 71.2 111.61 -175.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.93 -43.14 75.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.091 0.957 . . . . 71.4 110.838 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -55.56 -46.84 77.1 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.985 -1.462 . . . . 73.24 111.032 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -68.86 -31.16 69.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.585 0.553 . . . . 72.34 110.134 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 750' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 38.4 mm-40 -60.89 -60.11 4.32 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 108.291 -1.003 . . . . 71.12 108.291 172.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.11 -38.74 53.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.863 1.265 . . . . 71.51 111.421 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 6.8 tt -73.49 -33.45 64.82 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.558 0.743 . . . . 51.14 110.377 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -43.91 83.65 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.013 -0.736 . . . . 64.55 109.013 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 73.9 m-85 -57.06 -44.76 83.35 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.455 0.702 . . . . 71.25 110.166 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.559 ' O ' ' HG3' ' C' ' 759' ' ' GLN . 31.3 t-105 -58.98 -45.75 89.83 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.459 -1.246 . . . . 74.55 110.111 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 97.2 m -59.31 -36.17 75.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.883 0.873 . . . . 71.31 110.716 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.56 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 38.1 m-85 -62.46 -54.91 33.08 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 110.104 -0.332 . . . . 73.33 110.104 173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.486 HG13 ' O ' ' C' ' 754' ' ' PHE . 49.9 mt -61.37 -49.26 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.139 0.899 . . . . 73.5 112.098 -173.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 759' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' C' ' 755' ' ' TRP . 0.0 OUTLIER -80.93 -32.45 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.084 -0.96 . . . . 74.44 112.374 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.566 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -74.68 -25.28 59.06 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 119.316 0.962 . . . . 63.23 111.549 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 19.5 ptp -73.64 -54.66 7.63 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.168 -1.049 . . . . 74.32 108.168 166.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' C' ' 816' ' ' ARG . 20.5 mt -62.35 -10.96 12.8 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.342 1.457 . . . . 73.21 113.698 -178.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 61.4 m -52.71 -28.04 20.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.536 0.735 . . . . 72.12 110.483 169.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.405 ' HB3' HD21 ' A' ' 71' ' ' LEU . 6.9 t30 -142.79 -21.49 0.65 Allowed 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.211 1.004 . . . . 71.4 111.613 -175.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.594 HD23 HD11 ' C' ' 768' ' ' LEU . 16.2 tp -96.25 41.04 1.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.851 1.26 . . . . 74.1 109.426 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.13 80.72 0.69 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.934 0.894 . . . . 63.32 112.556 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 28.5 p 169.2 72.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.474 1.51 . . . . 64.32 109.79 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 768' ' ' LEU . . . . . 0.594 HD11 HD23 ' C' ' 765' ' ' LEU . 86.9 mt -126.61 113.55 16.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.409 0.684 . . . . 64.23 111.371 -174.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.7 t -67.55 153.29 44.02 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 115.369 -0.832 . . . . 73.14 109.728 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.61 HD13 HD11 ' C' ' 773' ' ' ILE . 0.1 OUTLIER -52.21 -41.74 62.96 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.326 1.016 . . . . 74.03 110.074 174.387 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.39 -56.51 14.45 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.99 0.916 . . . . 45.52 111.155 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -58.15 -55.01 40.54 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 114.007 -1.451 . . . . 72.12 111.587 -173.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.61 HD11 HD13 ' C' ' 770' ' ' LEU . 2.8 pp -68.62 -23.69 28.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-N 115.995 -0.548 . . . . 64.21 111.034 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.402 ' HA ' ' CD1' ' C' ' 795' ' ' LEU . 68.3 t80 -65.04 -44.64 88.39 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.19 0.45 . . . . 65.3 110.061 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.4 -43.45 98.85 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.218 0.324 . . . . 75.42 110.686 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 92.5 mmm -56.42 -64.22 0.94 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.805 0.69 . . . . 72.33 111.136 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' C' ' 790' ' ' ILE . 0.7 OUTLIER -48.07 -52.41 20.36 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.554 1.542 . . . . 53.41 111.389 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -59.73 -38.87 82.89 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.654 0.781 . . . . 73.44 111.976 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 3.6 ttp -58.51 -45.75 88.13 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.964 0.79 . . . . 62.02 110.061 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 780' ' ' PHE . . . . . 0.459 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 33.3 m-85 -66.14 -35.29 80.1 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.952 -0.567 . . . . 72.44 112.156 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.549 HG21 HG12 ' C' ' 790' ' ' ILE . 2.1 t -77.45 -29.0 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-N 118.096 0.407 . . . . 65.05 111.418 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 -30.55 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.914 -0.491 . . . . 64.12 110.344 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.6 p -73.19 -25.97 60.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.756 0.312 . . . . 72.13 111.015 173.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -133.4 91.41 0.26 Allowed Glycine 0 C--N 1.341 0.829 0 N-CA-C 109.958 -1.257 . . . . 75.1 109.958 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.65 13.63 0.21 Allowed 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.982 3.121 . . . . 72.22 115.28 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.93 -35.22 14.48 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.022 1.329 . . . . 63.22 113.727 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 67.6 mt -103.88 -17.54 14.99 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.403 0.681 . . . . 74.31 111.595 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.1 71.11 0.59 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.564 1.146 . . . . 75.3 111.87 -171.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 54.64 99.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.639 1.576 . . . . 64.45 113.603 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.0 pt -65.41 148.93 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.298 0.571 . . . . 74.11 110.452 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -102.46 170.71 7.89 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 115.554 -0.748 . . . . 72.32 110.107 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.32 -40.01 61.34 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 124.905 1.282 . . . . 75.23 111.826 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.22 59.23 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 118.862 -0.589 . . . . 73.54 111.97 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.91 -61.08 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.232 -0.655 . . . . 73.23 109.232 169.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -65.19 -50.45 65.86 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 114.224 -1.353 . . . . 73.41 111.752 -172.457 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.69 -48.56 79.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.261 0.624 . . . . 70.43 110.262 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.6 85.69 Favored Glycine 0 C--N 1.355 1.629 0 O-C-N 124.111 0.882 . . . . 60.23 113.244 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.4 t80 -64.94 -55.02 21.68 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.959 0.903 . . . . 64.44 109.64 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.48 HD11 HD11 ' C' ' 773' ' ' ILE . 74.7 mt -59.67 -43.51 93.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.549 1.14 . . . . 63.35 111.362 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.23 -47.64 80.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.611 1.194 . . . . 74.52 109.71 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -50.32 71.01 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 124.471 1.107 . . . . 72.33 110.948 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.3 mmtt -54.25 -39.71 67.07 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.787 0.662 . . . . 72.33 112.787 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 63.4 t -69.29 -42.76 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.69 0.796 . . . . 64.24 110.298 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -75.74 -9.39 58.55 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.767 0.827 . . . . 74.41 111.841 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.45 -1.6 35.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.947 0.899 . . . . 73.32 111.484 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.99 13.38 9.03 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.254 1.422 . . . . 74.44 111.943 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -92.41 -12.67 31.59 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.741 1.216 . . . . 63.33 110.562 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -133.61 139.73 46.69 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 106.919 -1.512 . . . . 71.43 106.919 172.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.85 116.17 47.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.766 -0.827 . . . . 61.12 108.766 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -91.95 106.91 18.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.646 -1.242 . . . . 74.13 107.646 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 14.5 t -76.26 -149.73 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.973 0.909 . . . . 64.44 109.539 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.41 74.5 1.9 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.135 0.493 . . . . 72.35 110.131 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.73 76.15 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 115.314 -0.857 . . . . 44.45 113.9 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.51 136.49 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 117.032 0.416 . . . . 34.12 110.512 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.6 139.79 30.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.779 0.832 . . . . 70.32 111.413 -174.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 816' ' ' ARG . . . . . 0.713 ' HA ' HD22 ' C' ' 762' ' ' LEU . 4.9 ppt_? -159.0 146.87 17.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.516 -0.92 . . . . 65.3 108.516 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 18.1 mt -76.57 150.79 82.43 Favored Pre-proline 0 N--CA 1.498 1.93 0 CA-C-N 118.963 0.802 . . . . 64.31 113.099 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--N 1.378 2.095 0 C-N-CA 122.933 2.422 . . . . 71.2 111.43 161.813 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.472 -0.251 . . . . 63.41 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.17 149.58 41.48 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.974 -0.75 . . . . 71.33 108.974 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 4.6 pm0 -98.11 148.9 23.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.421 0.688 . . . . 74.55 109.357 -177.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 pt -131.97 155.59 41.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-O 120.913 0.387 . . . . 63.41 110.365 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -107.75 121.66 45.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.043 -1.095 . . . . 74.31 108.043 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -108.21 93.15 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.094 -1.076 . . . . 72.23 108.094 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.27 94.85 2.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.688 -1.142 . . . . 74.02 109.379 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -93.95 126.23 39.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.064 0.459 . . . . 74.31 109.976 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.83 127.79 72.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 121.939 0.876 . . . . 62.33 109.807 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HB2' HE21 ' B' ' 109' ' ' GLN . 75.0 mt-30 -97.72 85.61 3.61 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.042 -1.466 . . . . 62.33 107.042 171.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' B' ' 107' ' ' THR . 6.8 t-105 -105.56 104.98 14.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 106.632 -1.618 . . . . 74.53 106.632 173.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' B' ' 171' ' ' LEU . 16.8 tppt? -158.38 128.09 5.86 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.643 -0.708 . . . . 73.31 111.445 -163.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' B' ' 104' ' ' PHE . 8.3 m -84.14 100.52 11.2 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.749 -0.834 . . . . 73.35 108.749 173.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 5.8 mt -92.36 172.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 125.051 1.34 . . . . 74.42 108.623 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -119.32 127.42 53.18 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.342 0.657 . . . . 71.11 109.355 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.35 170.09 16.47 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.834 -0.802 . . . . 72.12 108.834 170.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -116.47 136.87 52.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.756 0.313 . . . . 73.35 110.306 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.59 167.36 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.219 1.008 . . . . 72.4 109.501 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.2 147.94 37.33 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 108.913 -0.773 . . . . 63.22 108.913 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.55 -34.18 65.19 Favored 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 122.738 2.292 . . . . 75.12 111.978 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 m -83.86 0.4 47.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.986 0.914 . . . . 63.42 112.095 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.76 156.28 26.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.113 0.565 . . . . 71.43 110.128 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -88.32 163.24 16.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.368 0.667 . . . . 71.35 110.279 170.283 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 50' ' ' LEU . 41.3 mm -67.76 -24.93 31.5 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 C-N-CA 123.971 0.908 . . . . 73.42 111.065 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 11.1 pt-20 -57.03 -30.61 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.761 -0.654 . . . . 74.11 110.507 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.95 -55.45 25.75 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.893 0.477 . . . . 75.34 109.888 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.56 -36.19 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 123.337 0.398 . . . . 65.12 111.093 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -40.11 85.39 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 110.136 -0.32 . . . . 72.42 110.136 173.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.99 65.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.739 0.416 . . . . 75.42 111.413 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.1 mmpt? -78.03 -46.44 20.94 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 119.1 -0.476 . . . . 72.3 110.397 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.487 ' HB ' HD12 ' A' ' 36' ' ' ILE . 29.8 pt -66.54 -26.87 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.358 0.599 . . . . 73.25 110.714 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -71.24 -43.42 67.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.185 0.994 . . . . 71.11 111.321 171.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.3 -39.4 89.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.08 0.952 . . . . 65.0 110.855 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.38 -70.84 0.62 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 114.346 -1.297 . . . . 51.02 110.329 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.4 -27.95 31.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.14 0.576 . . . . 74.32 111.617 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.86 26.96 20.81 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.19 0.306 . . . . 75.32 112.967 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' HB ' ' A' ' 30' ' ' ILE . 68.5 mt -76.24 109.79 9.41 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.158 0.983 . . . . 62.1 109.359 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 6.3 Cg_exo -74.45 135.56 20.38 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.872 2.381 . . . . 72.13 111.951 -174.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.31 -44.07 49.82 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 124.382 3.388 . . . . 71.44 113.542 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.52 -4.05 37.6 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.298 -0.865 . . . . 55.21 112.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -124.88 17.98 8.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.88 0.872 . . . . 74.51 112.03 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.411 ' OE1' HD21 ' A' ' 43' ' ' LEU . 11.0 pt20 -131.63 158.99 39.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.244 0.618 . . . . 62.44 111.675 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -142.79 127.68 18.33 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.534 -1.284 . . . . 60.11 107.534 169.192 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' OE1' ' A' ' 41' ' ' GLN . 50.4 mt -97.53 124.26 41.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.781 0.833 . . . . 55.23 110.357 -172.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.6 HG21 ' CE1' ' C' ' 757' ' ' TYR . 34.5 mm -118.86 107.95 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.028 -0.73 . . . . 73.33 109.028 172.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -110.43 104.26 13.0 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.262 -1.014 . . . . 64.13 108.262 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.81 30.96 16.71 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.03 0.832 . . . . 65.41 112.017 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 97.2 -9.55 65.28 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-N 115.304 -0.862 . . . . 73.31 114.572 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.57 147.88 23.69 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 117.66 0.73 . . . . 63.2 110.216 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -104.74 100.01 9.65 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.538 1.135 . . . . 62.55 108.183 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 23' ' ' ILE . 7.8 mp -73.38 112.05 9.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.248 -1.342 . . . . 53.21 111.846 -169.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.79 127.72 33.12 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.856 1.348 . . . . 54.04 109.569 171.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.43 -38.86 69.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.468 1.107 . . . . 61.12 112.039 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.76 7.98 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.267 -0.879 . . . . 74.11 113.473 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.43 177.46 4.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.899 0.88 . . . . 71.25 109.02 172.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -108.12 155.18 20.7 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.759 0.824 . . . . 64.44 109.646 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.48 -48.65 80.83 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.321 0.648 . . . . 60.53 110.058 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.0 t -63.15 -24.56 67.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.312 -0.858 . . . . 53.53 112.517 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.04 -37.46 74.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.18 0.592 . . . . 64.3 110.874 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.6 m-85 -96.1 -9.18 31.42 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.011 -0.366 . . . . 72.24 110.011 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.06 64.54 1.49 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.371 1.044 . . . . 71.34 109.753 -168.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 59' ' ' TYR . 1.7 mp -61.92 108.84 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 107.496 -1.298 . . . . 74.23 107.496 168.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 18.4 pt20 -85.3 164.5 17.97 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.474 -0.784 . . . . 70.24 110.039 176.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.611 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -68.47 144.62 54.59 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.696 -0.684 . . . . 73.31 111.301 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 56.26 25.78 9.69 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 125.013 1.445 . . . . 74.41 112.351 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.515 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 11.2 t -80.47 147.29 30.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.55 -0.75 . . . . 71.51 109.306 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.45 139.43 30.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.804 0.811 . . . . 60.03 111.024 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG12 ' B' ' 105' ' ' VAL . 50.6 tp -133.02 139.74 47.37 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.831 1.653 . . . . 60.14 106.869 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' SD ' ' C' ' 776' ' ' MET . 3.0 tt -118.73 135.17 60.01 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 N-CA-C 108.095 -1.076 . . . . 75.02 108.095 170.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 HG22 ' B' ' 107' ' ' THR . 52.8 mt -107.23 103.38 12.75 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.869 -1.059 . . . . 70.0 108.234 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.656 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.4 mp -96.91 117.94 32.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.172 -1.047 . . . . 63.45 108.172 -173.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' HG ' HG13 ' B' ' 108' ' ' VAL . 71.4 mt -69.35 171.97 7.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.442 0.297 . . . . 53.22 110.436 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -40.98 109.81 0.13 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.64 1.176 . . . . 43.52 112.692 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.4 pp -67.02 -44.11 81.13 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.656 -0.498 . . . . 65.32 109.656 168.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' N ' HD12 ' A' ' 73' ' ' LEU . 75.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.018 1.727 . . . . 63.31 107.816 167.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.924 -0.47 . . . . 44.31 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.0 150.95 46.43 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.144 0.577 . . . . 73.34 110.235 -178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -88.98 160.52 17.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.629 -0.714 . . . . 64.02 109.122 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.9 pt -145.14 151.16 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.585 0.754 . . . . 53.21 109.894 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 18.3 m-85 -108.73 115.04 29.33 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 108.417 -0.957 . . . . 74.31 108.417 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 67' ' ' LEU . 24.6 m -113.37 123.57 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 120.823 0.344 . . . . 55.33 110.868 -168.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.23 99.03 12.13 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.648 -1.241 . . . . 61.12 107.648 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.586 HG22 HD12 ' A' ' 69' ' ' LEU . 82.8 p -93.24 134.35 35.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.539 1.535 . . . . 73.04 110.39 -172.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.521 HG13 ' HG ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -118.18 117.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.511 1.124 . . . . 55.0 109.78 175.82 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.463 HE21 ' HB2' ' A' ' 9' ' ' GLN . 2.5 mp0 -131.85 86.42 2.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.511 0.724 . . . . 54.14 109.647 172.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -88.25 134.99 33.66 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.736 -0.838 . . . . 63.32 108.736 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -147.84 133.95 19.33 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.248 1.419 . . . . 75.11 108.558 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 26.9 m -93.84 117.66 30.39 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.129 -0.693 . . . . 71.13 109.129 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 31.0 mt -92.39 154.36 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 107.57 -1.27 . . . . 40.23 107.57 172.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 89.5 m -137.93 125.39 21.99 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.584 -1.265 . . . . 75.54 107.584 174.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -138.02 170.33 16.24 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.427 -0.953 . . . . 71.01 108.427 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 30.5 tt0 -118.64 143.1 47.05 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.808 -0.812 . . . . 63.02 108.808 171.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.24 165.75 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 123.159 0.584 . . . . 75.34 109.876 -174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 11.0 mm-40 -107.87 141.92 24.14 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 124.173 0.989 . . . . 75.02 110.548 -175.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 118' ' ' GLU . 34.3 Cg_exo -61.1 -40.01 54.81 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.462 2.775 . . . . 41.01 112.456 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 60.7 m -84.58 -4.47 59.0 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.359 -0.837 . . . . 71.31 111.361 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.434 ' HB3' ' ND2' ' B' ' 125' ' ' ASN . 0.6 OUTLIER -92.26 167.26 12.14 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.133 0.573 . . . . 65.12 109.897 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.5 p -97.17 160.67 14.2 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.46 1.104 . . . . 55.3 111.92 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.483 HD13 HD22 ' B' ' 156' ' ' LEU . 24.7 mm -65.97 -22.06 29.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.854 -1.521 . . . . 75.12 110.847 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.29 -21.06 59.11 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.245 1.018 . . . . 71.45 112.232 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' B' ' 121' ' ' ASP . 76.7 m-20 -64.29 -53.5 48.01 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 123.675 0.79 . . . . 72.3 109.512 171.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.64 -40.92 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.9 0.88 . . . . 72.25 109.95 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.56 -56.09 22.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 114.99 -1.005 . . . . 73.52 110.614 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.99 72.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.14 -0.936 . . . . 64.45 111.142 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.508 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.5 mmpt? -67.97 -54.4 18.85 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.55 0.531 . . . . 73.05 110.512 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.1 pt -67.37 -26.51 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 118.315 0.507 . . . . 73.33 111.131 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 9.8 tt0 -77.15 -26.65 53.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.853 0.861 . . . . 54.12 111.125 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -80.0 -46.35 16.77 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.371 0.605 . . . . 54.11 110.288 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.57 -67.0 0.63 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.745 -1.116 . . . . 71.54 110.299 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.51 -4.67 28.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.038 0.535 . . . . 74.43 111.191 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 68.76 37.1 83.85 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.024 -0.32 . . . . 73.01 113.307 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.93 105.19 7.43 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.051 0.94 . . . . 70.43 109.443 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.89 148.23 76.13 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.097 1.865 . . . . 72.15 111.674 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -44.98 -39.49 14.45 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 124.974 3.783 . . . . 72.53 114.684 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.91 -43.11 89.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.649 -1.16 . . . . 74.52 111.221 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.81 -9.41 58.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.706 0.802 . . . . 74.24 111.492 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -77.49 131.69 38.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.379 1.072 . . . . 74.53 109.932 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.492 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 11.5 ttt85 -140.44 78.42 1.65 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.611 -0.885 . . . . 74.5 108.611 166.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.404 ' H ' HD12 ' B' ' 143' ' ' LEU . 0.2 OUTLIER -73.71 107.14 5.78 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.489 -0.56 . . . . 74.4 109.489 168.574 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.45 133.17 44.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.416 1.086 . . . . 64.13 108.572 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.462 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 35.5 t80 -132.43 108.19 8.99 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.628 1.171 . . . . 72.24 107.924 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.01 21.97 11.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.754 0.821 . . . . 71.33 112.301 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.73 53.53 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 119.584 -0.565 . . . . 75.13 114.052 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 21.0 ptmt -135.44 127.89 30.48 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 117.595 0.697 . . . . 73.04 109.697 176.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.85 154.02 41.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.589 -0.523 . . . . 73.22 109.589 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.5 HD21 HD23 ' B' ' 167' ' ' LEU . 0.8 OUTLIER -98.58 120.67 39.4 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.451 -0.944 . . . . 75.43 108.451 175.146 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 3.4 mp0 -67.25 130.64 43.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 108.045 -1.095 . . . . 74.41 108.045 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.55 -33.97 73.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.387 0.675 . . . . 74.15 111.486 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.02 0.63 82.66 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.829 -0.623 . . . . 31.22 113.637 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' B' ' 154' ' ' ARG . 1.3 tpm_? -95.31 168.53 10.67 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.556 0.743 . . . . 73.41 109.973 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.9 m -97.77 155.12 17.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.227 0.611 . . . . 73.53 109.931 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 123' ' ' ILE . 3.9 mm? -66.06 -46.42 77.84 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.39 0.676 . . . . 72.33 110.605 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 -25.33 67.86 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.823 -0.626 . . . . 43.22 112.054 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.19 -33.16 65.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.017 0.927 . . . . 72.24 110.557 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.405 ' HB2' HG12 ' B' ' 161' ' ' ILE . 88.4 m-85 -97.57 -9.25 27.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.492 0.717 . . . . 64.34 111.91 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 61.1 t30 60.94 49.99 5.48 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.932 0.872 . . . . 50.1 109.836 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' B' ' 159' ' ' TYR . 4.1 mm -65.91 141.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-N 114.932 -1.031 . . . . 73.22 110.065 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.88 164.74 20.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.22 0.533 . . . . 74.42 111.174 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -58.42 141.34 51.81 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 115.455 -0.793 . . . . 74.25 109.59 174.018 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 61.52 11.02 3.55 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.676 1.99 . . . . 73.35 113.863 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.2 p -60.87 130.55 47.01 Favored 'General case' 0 C--N 1.369 1.426 0 CA-C-N 119.138 0.881 . . . . 50.45 110.282 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.02 128.05 45.08 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.362 0.665 . . . . 63.12 110.682 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.5 HD23 HD21 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -127.97 130.78 48.94 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 106.606 -1.628 . . . . 74.34 106.606 -179.293 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.33 116.06 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.874 -0.787 . . . . 72.14 108.874 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.9 tp -87.3 105.67 17.4 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.576 -0.898 . . . . 73.35 108.576 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 170' ' ' LEU . . . . . 0.423 HD23 ' HE ' ' B' ' 142' ' ' ARG . 0.7 OUTLIER -93.21 154.62 17.93 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.255 -1.387 . . . . 63.54 107.255 173.682 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 11' ' ' LYS . 39.3 tp -70.48 133.92 47.26 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 106.388 -1.708 . . . . 75.05 106.388 162.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 9.7 t . . . . . 0 N--CA 1.487 1.419 0 C-N-CA 126.016 1.726 . . . . 71.14 114.403 -163.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.796 -0.076 . . . . 43.05 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.47 -44.03 37.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.447 0.699 . . . . 74.4 110.807 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 3.6 pt20 -55.22 -51.78 65.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.605 0.566 . . . . 61.01 110.629 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' C' ' 746' ' ' GLN . 0.0 OUTLIER -69.98 -37.92 75.89 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 116.191 -0.458 . . . . 72.13 111.219 -178.311 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.24 -58.33 8.97 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 65.45 111.389 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -66.27 -43.97 84.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.621 -0.718 . . . . 71.54 111.05 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -47.37 81.56 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.833 0.708 . . . . 63.41 111.451 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.01 -39.02 87.0 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 118.325 0.511 . . . . 62.04 111.114 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -40.69 83.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.759 -0.83 . . . . 65.31 108.759 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.94 -40.7 96.41 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.862 1.265 . . . . 61.32 110.821 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -67.27 -36.93 82.59 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.621 -0.718 . . . . 75.14 109.74 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.507 ' CZ2' ' HG2' ' C' ' 807' ' ' GLN . 30.1 t-105 -74.75 -29.69 61.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.088 -0.96 . . . . 64.42 110.548 176.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 96.9 m -62.19 -36.52 82.14 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.992 -0.744 . . . . 61.52 108.992 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 44' ' ' ILE . 16.5 m-30 -62.6 -67.47 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 116.008 -0.542 . . . . 74.13 110.396 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.504 HD11 HD22 ' C' ' 777' ' ' LEU . 18.9 mt -62.54 -36.24 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 124.181 0.925 . . . . 73.24 111.675 -168.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.33 -54.72 11.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.417 -0.356 . . . . 65.13 110.296 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.535 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -67.01 -29.13 68.87 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.325 0.491 . . . . 54.04 112.325 -172.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.606 ' HG3' HD12 ' C' ' 762' ' ' LEU . 27.5 ptm -78.76 -56.16 4.62 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 118.741 -0.647 . . . . 52.44 110.017 174.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.712 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 9.1 mp -68.66 -18.14 64.22 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.41 0.892 . . . . 75.51 113.41 -172.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 763' ' ' THR . . . . . 0.593 HG21 ' HA ' ' A' ' 73' ' ' LEU . 14.3 t -64.16 -25.35 68.04 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.609 0.64 . . . . 70.35 110.891 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -100.02 -44.01 6.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.087 0.955 . . . . 72.22 108.946 171.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.71 58.43 1.67 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.712 1.605 . . . . 74.0 111.062 -171.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.87 60.86 5.6 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.104 0.478 . . . . 74.12 111.04 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 41.0 p -179.25 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.63 1.172 . . . . 74.05 110.576 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.33 127.41 45.49 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.504 0.722 . . . . 65.11 110.374 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.5 m -63.15 141.7 58.67 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.629 0.772 . . . . 71.54 109.346 172.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 18.5 tp -46.01 -37.11 6.23 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 124.615 1.197 . . . . 71.33 112.23 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.61 -43.84 36.57 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.181 1.392 . . . . 73.12 112.876 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.611 HH11 ' HB3' ' C' ' 772' ' ' ARG . 3.3 mtp-105 -63.01 -62.8 1.47 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.662 -0.699 . . . . 70.44 111.016 -176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' C' ' 777' ' ' LEU . 0.1 OUTLIER -71.05 -23.02 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 115.211 -0.904 . . . . 72.01 110.09 -174.326 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -62.38 -61.95 2.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.211 0.604 . . . . 72.12 109.637 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.53 -39.01 78.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.668 0.787 . . . . 74.14 111.228 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 776' ' ' MET . . . . . 0.631 ' SD ' HD12 ' A' ' 68' ' ' ILE . 47.5 ttm -65.86 -62.27 1.6 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.649 1.18 . . . . 75.43 111.625 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' C' ' 795' ' ' LEU . 4.8 tp -56.45 -43.02 79.11 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.694 0.798 . . . . 64.41 111.011 -178.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' C' ' 781' ' ' VAL . 69.2 ttt180 -71.34 -32.37 68.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.967 -1.015 . . . . 72.41 111.08 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 47.7 ttp -56.29 -49.74 73.4 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.949 -0.759 . . . . 73.0 108.949 170.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -61.18 -39.43 90.12 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.753 0.658 . . . . 71.23 112.484 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.835 HG11 HG12 ' C' ' 790' ' ' ILE . 2.9 p -72.16 -30.48 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 111.948 0.351 . . . . 71.55 111.948 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.7 -21.82 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 112.147 0.425 . . . . 65.45 112.147 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.0 p -68.94 -24.56 64.29 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 111.899 0.333 . . . . 72.33 111.899 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.34 -178.52 15.57 Favored Glycine 0 C--O 1.24 0.5 0 N-CA-C 110.318 -1.113 . . . . 52.14 110.318 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.29 -43.96 37.17 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.453 2.102 . . . . 61.42 110.756 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 38.01 -86.11 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.637 1.975 . . . . 62.51 114.697 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 72.8 mt -133.23 21.72 4.06 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.56 1.144 . . . . 73.43 110.679 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.28 50.64 3.75 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.858 1.263 . . . . 60.41 111.318 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 42.19 99.01 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.605 1.962 . . . . 73.12 113.681 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.835 HG12 HG11 ' C' ' 781' ' ' VAL . 18.3 pt -76.71 174.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.33 0.652 . . . . 74.22 112.139 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -121.97 178.48 4.87 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.776 0.83 . . . . 64.13 110.157 -177.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.45 -53.13 2.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.778 1.631 . . . . 52.22 112.23 171.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -35.91 62.52 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.804 0.842 . . . . 72.04 112.463 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 794' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' C' ' 790' ' ' ILE . 4.5 tp10 -85.75 -41.1 15.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.543 0.737 . . . . 73.34 110.736 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' C' ' 777' ' ' LEU . 0.2 OUTLIER -64.63 -55.17 21.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.303 1.041 . . . . 53.01 109.081 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -50.61 -56.62 10.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 113.997 -1.456 . . . . 73.14 109.294 170.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -48.24 -41.42 23.44 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 124.398 1.061 . . . . 62.31 114.077 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 45.5 t80 -66.05 -57.48 7.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.135 0.974 . . . . 63.02 111.171 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.82 -37.19 73.2 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.857 -1.065 . . . . 73.51 109.968 -170.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -70.53 -32.29 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.962 -0.563 . . . . 75.54 109.626 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -58.13 -48.09 81.29 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 109.668 -0.493 . . . . 75.32 109.668 170.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -54.64 -41.34 69.96 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 123.527 0.517 . . . . 61.15 111.614 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 64.7 t -59.31 -42.81 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 CA-C-O 120.754 0.311 . . . . 73.02 111.27 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -73.86 -23.37 59.6 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.754 0.422 . . . . 75.54 111.421 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.15 4.65 41.49 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.615 1.166 . . . . 64.04 110.967 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 64.02 13.67 7.89 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.216 1.406 . . . . 72.31 111.135 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 807' ' ' GLN . . . . . 0.507 ' HG2' ' CZ2' ' C' ' 755' ' ' TRP . 26.5 tt0 -102.2 9.04 40.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.754 1.222 . . . . 61.24 110.798 -173.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 0.0 OUTLIER -161.89 142.74 10.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.26 -1.755 . . . . 73.51 106.26 176.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 79.0 t -111.72 129.45 67.11 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 109.21 -0.663 . . . . 74.14 109.21 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -93.1 109.94 21.42 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.896 -1.15 . . . . 74.3 107.896 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.583 ' HB3' HG13 ' C' ' 814' ' ' VAL . 21.8 t -79.3 -157.17 0.12 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.008 -0.738 . . . . 53.32 109.008 172.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.84 76.33 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.022 0.529 . . . . 40.31 111.15 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.76 75.8 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.46 -0.791 . . . . 71.44 112.399 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' C' ' 811' ' ' SER . 5.0 p -145.38 140.89 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.734 -0.839 . . . . 51.01 108.734 178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 815' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' C' ' 803' ' ' VAL . 56.6 m-85 -95.31 147.32 23.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.763 0.316 . . . . 54.1 111.072 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -156.42 132.08 9.56 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.197 -0.91 . . . . 72.41 109.736 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 11.9 tp -78.92 132.18 64.81 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 119.347 -0.358 . . . . 73.43 110.489 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 CA--C 1.555 1.538 0 C-N-CA 121.999 1.8 . . . . 52.0 111.643 170.395 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 111.788 -0.525 . . . . 54.43 111.788 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.3 159.05 28.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 72.21 109.421 -175.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.482 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 1.2 mp0 -91.12 157.09 17.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.082 0.468 . . . . 73.43 111.457 -171.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.476 HD11 HG11 ' B' ' 117' ' ' VAL . 31.1 mt -135.1 152.03 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 N-CA-C 108.521 -0.918 . . . . 54.21 108.521 164.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -104.77 131.22 52.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.761 0.824 . . . . 54.11 108.894 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 57.4 t -102.54 95.11 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.912 -0.773 . . . . 62.41 108.912 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.83 94.6 9.88 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 -172.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 4.5 t -92.7 108.85 20.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.031 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.519 HG21 HD12 ' C' ' 765' ' ' LEU . 9.7 p -102.18 123.04 55.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 121.946 0.879 . . . . 75.23 110.134 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -107.91 84.53 1.97 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.801 -1.09 . . . . 53.32 108.723 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 57.7 t-105 -90.15 104.33 16.92 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 106.006 -1.85 . . . . 52.22 106.006 168.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.32 139.96 18.87 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.509 0.505 . . . . 73.41 111.221 -168.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.6 m -83.03 125.15 31.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.776 . . . . 72.53 109.323 174.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' B' ' 105' ' ' VAL . 45.6 mm -92.89 160.74 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 107.807 -1.183 . . . . 71.34 107.807 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.3 m -132.43 121.68 23.79 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.092 -1.077 . . . . 62.34 108.092 170.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 HG21 ' B' ' 105' ' ' VAL . 3.5 pp -117.02 170.98 8.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.889 -0.782 . . . . 55.22 108.889 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -126.67 127.41 45.12 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.109 -1.071 . . . . 73.04 108.109 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -144.85 173.71 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.804 0.842 . . . . 53.12 109.885 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -116.45 146.77 38.19 Favored Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 123.518 0.727 . . . . 61.43 109.522 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 30.0 Cg_endo -62.15 -30.08 81.7 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.542 2.161 . . . . 65.1 113.182 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -78.66 -13.11 59.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.073 0.549 . . . . 52.11 112.045 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.04 163.03 28.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 122.729 0.412 . . . . 61.32 110.188 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.84 159.24 18.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.354 0.597 . . . . 60.41 110.805 173.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 50' ' ' LEU . 44.7 mm -69.53 -27.32 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.454 -1.248 . . . . 42.13 110.336 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.07 -27.16 69.2 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 122.918 0.487 . . . . 75.54 111.355 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -68.3 -45.19 73.68 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.743 0.652 . . . . 74.54 110.337 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 56' ' ' LEU . 85.3 t -61.14 -48.07 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.922 0.889 . . . . 65.24 109.945 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.57 -48.29 81.41 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.638 -1.619 . . . . 64.11 110.857 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.98 -33.21 70.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.467 -0.788 . . . . 74.55 111.652 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.4 ptpt -76.88 -38.2 54.06 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.133 0.424 . . . . 70.32 110.901 -177.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.678 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.8 pt -69.82 -33.68 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 121.007 0.432 . . . . 71.21 110.058 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.64 -41.08 93.0 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.467 -0.788 . . . . 74.35 111.457 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.69 -50.82 47.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.74 0.816 . . . . 72.32 110.85 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.25 -56.38 3.8 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.645 -1.161 . . . . 52.43 111.597 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -87.86 -17.13 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 122.677 0.391 . . . . 71.33 111.59 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.98 43.3 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 112.392 -0.283 . . . . 74.42 112.392 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' HB ' ' A' ' 30' ' ' ILE . 93.0 mt -79.12 114.57 45.65 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.526 1.13 . . . . 73.3 110.804 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HB2' ' HG3' ' A' ' 40' ' ' GLN . 5.7 Cg_exo -81.05 107.32 1.89 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.61 2.207 . . . . 72.15 110.047 172.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.18 -34.72 88.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.97 2.447 . . . . 72.13 114.321 -169.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.59 -47.02 77.15 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.26 -0.882 . . . . 72.11 111.827 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -89.25 -5.21 57.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.669 0.248 . . . . 74.34 111.669 -177.034 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.465 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 54.8 tt0 -131.55 90.06 2.8 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.17 -1.048 . . . . 72.24 108.17 175.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.76 125.82 29.92 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.863 -1.062 . . . . 65.33 111.066 -170.273 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.614 HD23 HD21 ' A' ' 67' ' ' LEU . 4.6 mp -87.18 138.85 31.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.871 0.868 . . . . 74.44 110.741 -174.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.72 121.6 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 108.372 -0.973 . . . . 71.32 108.372 172.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -109.56 114.96 29.03 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.736 -1.209 . . . . 73.12 107.736 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.46 9.07 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.158 0.799 . . . . 45.02 113.158 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.58 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 91.58 22.49 31.24 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 116.436 -0.347 . . . . 75.52 113.571 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -136.87 136.0 38.33 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.107 0.563 . . . . 74.5 110.603 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -80.85 132.15 35.44 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.128 0.971 . . . . 74.41 110.346 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.714 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.0 mm? -87.85 104.94 17.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.866 0.867 . . . . 73.5 111.094 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -79.86 121.11 25.0 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.698 -0.852 . . . . 75.24 108.698 163.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p-10 -64.13 -23.42 67.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.573 0.749 . . . . 70.23 112.48 -173.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.31 0.18 81.1 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 124.145 0.903 . . . . 64.33 114.292 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.48 176.4 5.16 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 117.788 0.794 . . . . 73.45 109.223 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 p -101.6 164.59 11.67 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.962 -0.384 . . . . 61.34 109.962 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.8 mm? -60.47 -35.72 76.58 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 109.246 -0.65 . . . . 74.5 109.246 174.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -63.3 -34.18 77.12 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.892 1.277 . . . . 64.33 112.587 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.45 -29.93 64.62 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.538 0.685 . . . . 60.25 111.084 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.489 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.1 m-85 -102.1 -1.85 30.68 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.453 -0.794 . . . . 72.34 111.153 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t30 59.41 39.78 21.65 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.413 1.085 . . . . 74.13 110.213 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.489 HG13 ' HB2' ' A' ' 59' ' ' TYR . 99.5 mt -71.99 98.29 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.21 -0.905 . . . . 62.53 109.868 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.97 -179.07 4.56 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.398 1.079 . . . . 73.02 109.534 174.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -73.88 148.13 42.59 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.772 0.656 . . . . 61.14 112.772 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 54.59 31.16 14.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.591 -1.641 . . . . 41.33 112.25 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -85.41 164.65 17.78 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.295 -0.866 . . . . 72.33 108.749 172.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.96 124.74 50.12 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.066 0.936 . . . . 74.22 112.29 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.614 HD21 HD23 ' A' ' 43' ' ' LEU . 55.7 tp -105.04 147.85 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.871 2.068 . . . . 74.45 107.586 171.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' SD ' ' C' ' 776' ' ' MET . 8.1 tt -126.46 144.59 36.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-O 121.561 0.696 . . . . 73.55 109.637 169.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -105.92 117.19 33.39 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.653 1.181 . . . . 72.15 108.734 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.7 mm? -96.25 115.66 27.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.698 -1.223 . . . . 74.01 107.698 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 10.3 tt -72.53 156.53 38.92 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.234 -0.654 . . . . 72.33 109.234 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -33.67 102.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.535 1.534 . . . . 63.4 112.95 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' A' ' 74' ' ' ARG . 6.1 tt -63.78 -56.73 13.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.389 -1.278 . . . . 62.42 109.371 -174.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 73' ' ' LEU . 18.5 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-N 114.792 -1.094 . . . . 72.32 109.449 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.18 -0.768 . . . . 74.45 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.445 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -131.2 149.85 52.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.324 1.449 . . . . 63.34 109.553 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.56 124.3 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.948 -1.13 . . . . 74.22 107.948 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 25.3 pt -118.61 157.21 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.849 0.46 . . . . 73.45 110.54 -169.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.42 131.28 45.54 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 108.691 -0.855 . . . . 74.1 108.691 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 15' ' ' LEU . 76.6 t -124.77 98.73 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.142 -1.058 . . . . 65.12 108.142 -173.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.42 121.85 27.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.064 -0.717 . . . . 74.42 109.064 -169.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.704 HG22 HD22 ' A' ' 69' ' ' LEU . 66.4 p -123.77 141.45 52.01 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 123.869 0.868 . . . . 63.33 110.934 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.485 ' HB ' ' CE3' ' A' ' 10' ' ' TRP . 5.9 p -121.29 121.85 65.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 123.687 0.795 . . . . 62.32 109.498 170.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -128.89 88.41 2.72 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.425 -0.583 . . . . 61.11 109.425 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -83.84 128.66 34.7 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.137 -1.431 . . . . 62.52 107.137 168.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -136.46 112.76 9.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.073 0.949 . . . . 73.4 108.8 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -79.98 112.14 17.0 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.195 -0.668 . . . . 74.12 109.195 173.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 21.6 mt -94.11 169.24 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 107.344 -1.354 . . . . 71.21 107.344 172.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 44.4 m -143.44 133.07 23.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.369 -0.604 . . . . 55.05 109.369 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -137.12 168.24 19.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.175 0.99 . . . . 74.32 109.345 173.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.482 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 25.2 mt-10 -117.15 140.22 49.78 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.245 0.618 . . . . 73.44 109.705 168.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' VAL . . . . . 0.476 HG11 HD11 ' A' ' 3' ' ' ILE . 1.9 p -136.02 176.72 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 C-N-CA 124.88 1.272 . . . . 74.3 108.606 -172.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.54 154.89 79.52 Favored Pre-proline 0 N--CA 1.485 1.307 0 N-CA-C 108.821 -0.807 . . . . 63.11 108.821 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.59 -21.95 33.54 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.242 1.295 . . . . 74.2 112.335 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.9 m -84.36 -16.24 43.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 73.33 112.875 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' B' ' 117' ' ' VAL . 0.8 OUTLIER -89.74 174.64 7.61 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 119.219 0.918 . . . . 71.41 110.923 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.4 p -104.05 155.05 18.99 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.162 0.985 . . . . 74.32 112.173 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 32.0 mm -57.81 -30.26 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.974 -1.467 . . . . 64.43 111.163 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.01 -35.7 67.13 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.714 0.806 . . . . 65.34 111.041 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.16 -46.34 77.77 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.098 0.874 . . . . 64.41 110.029 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.65 -51.21 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.719 0.808 . . . . 62.15 110.161 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.605 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -69.15 -32.89 72.55 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.521 -0.763 . . . . 75.12 111.32 -177.043 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.99 66.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.508 0.323 . . . . 75.24 111.784 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.6 mmpt? -75.04 -41.28 59.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.419 0.287 . . . . 72.12 111.337 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.648 ' HB ' HD12 ' B' ' 136' ' ' ILE . 24.8 pt -70.47 -30.01 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 109.862 -0.421 . . . . 73.12 109.862 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -68.38 -37.71 80.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.103 0.561 . . . . 71.43 111.325 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.33 -53.29 20.33 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.129 0.571 . . . . 71.14 110.811 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -77.33 -51.86 10.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.501 -0.772 . . . . 63.35 110.796 -172.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -103.18 -10.2 18.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.828 -0.624 . . . . 75.15 112.016 -166.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.26 30.27 63.02 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 120.068 -0.296 . . . . 72.24 112.785 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' B' ' 130' ' ' ILE . 93.7 mt -85.61 107.37 12.22 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 124.582 1.153 . . . . 75.13 110.791 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 4.3 Cg_exo -81.18 118.7 3.36 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.178 1.919 . . . . 44.32 109.406 172.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.605 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 9.9 Cg_endo -48.44 -35.18 27.7 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 123.766 2.977 . . . . 71.02 113.832 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.19 -46.21 81.68 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 115.297 -0.865 . . . . 64.33 112.015 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' GLN . . . . . 0.507 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 1.5 tm0? -84.7 -39.29 18.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.411 0.684 . . . . 74.24 111.56 -172.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.413 HE22 HG12 ' B' ' 136' ' ' ILE . 44.7 mt-30 -105.05 105.89 16.13 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.593 -1.262 . . . . 73.13 107.593 168.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 115.86 16.5 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 124.961 1.304 . . . . 74.32 109.642 -173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.02 100.92 11.99 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.4 -0.593 . . . . 74.23 109.4 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.33 125.49 51.04 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.514 -0.921 . . . . 72.0 108.514 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -109.07 103.15 12.1 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.907 -0.775 . . . . 53.4 108.907 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.7 29.64 16.15 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.304 1.042 . . . . 73.42 113.087 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.89 46.18 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 116.56 -0.291 . . . . 75.23 113.437 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -141.55 114.89 8.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.854 0.862 . . . . 72.21 109.347 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 149' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' B' ' 149' ' ' GLN . 2.7 pp0? -65.25 156.25 32.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.08 0.552 . . . . 74.45 111.253 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.497 HD11 HD23 ' B' ' 167' ' ' LEU . 61.1 mt -99.85 141.83 32.14 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.521 0.729 . . . . 60.33 110.881 -176.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.669 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 43.6 mt-10 -87.42 127.83 35.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.684 -1.228 . . . . 72.04 107.684 163.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.15 -32.63 72.35 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.048 0.539 . . . . 72.31 110.985 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.6 5.43 78.22 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.384 -0.676 . . . . 71.42 114.109 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 8.1 tpt180 -91.58 173.65 7.77 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.084 0.942 . . . . 64.0 109.563 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.0 m -106.18 154.92 20.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.599 0.759 . . . . 75.21 109.15 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' B' ' 161' ' ' ILE . 4.5 mm? -62.34 -43.01 99.81 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.201 0.6 . . . . 72.21 110.867 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.3 t -63.19 -24.77 68.03 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.136 0.791 . . . . 63.33 113.136 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -54.07 -42.04 68.84 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.458 0.647 . . . . 74.53 110.56 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -90.53 -5.48 55.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.895 -1.048 . . . . 71.23 110.252 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 56.33 50.58 12.98 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 124.57 1.148 . . . . 62.11 109.972 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' B' ' 156' ' ' LEU . 14.0 mm -61.26 114.47 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 114.061 -1.427 . . . . 74.44 110.132 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -96.3 164.3 12.71 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-O 121.192 0.52 . . . . 70.44 109.763 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -60.44 128.67 37.84 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.51 -0.768 . . . . 70.2 109.567 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 73.68 25.66 1.99 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.559 1.144 . . . . 74.11 110.554 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' B' ' 145' ' ' PHE . 74.5 m -64.83 158.88 23.85 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 109.0 -0.741 . . . . 63.14 109.0 161.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -140.02 135.46 32.69 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.092 0.405 . . . . 52.15 111.52 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.497 HD23 HD11 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -113.08 136.59 52.53 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.915 0.886 . . . . 63.13 109.589 172.434 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.5 pt -96.52 124.08 49.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.071 0.938 . . . . 63.14 109.119 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.621 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 9.6 mp -81.93 103.26 11.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.549 -1.205 . . . . 75.3 109.282 171.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.56 161.47 14.35 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.586 -1.265 . . . . 65.51 107.586 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.09 150.53 47.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.796 0.725 . . . . 72.44 110.471 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.3 t . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 126.239 1.816 . . . . 73.01 114.345 -173.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.682 0.277 . . . . 62.22 110.801 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 745' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 25.6 t0 -78.47 -47.01 18.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.877 0.871 . . . . 63.14 111.163 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 746' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 14.0 pt20 -47.07 -48.82 22.45 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.283 1.033 . . . . 60.42 111.829 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 747' ' ' LYS . . . . . 0.716 ' HA ' HD21 ' C' ' 787' ' ' LEU . 17.7 ptmt -76.17 -42.66 45.8 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.747 -1.115 . . . . 62.01 110.618 -171.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.41 -54.67 44.04 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.1 0.875 . . . . 55.51 111.501 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 749' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.2 pt-20 -67.2 -30.89 70.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.726 0.641 . . . . 73.43 110.855 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 750' ' ' GLU . . . . . 0.482 ' HG2' ' HG ' ' C' ' 787' ' ' LEU . 6.3 tp10 -65.39 -43.86 89.34 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 123.415 0.447 . . . . 73.41 110.103 174.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 751' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 94.1 mt -65.68 -32.82 74.59 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.799 0.839 . . . . 62.54 110.801 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.4 -36.26 73.95 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.822 -0.807 . . . . 74.01 108.822 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -45.14 84.78 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.299 0.64 . . . . 72.42 110.404 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.558 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 33.0 m-85 -58.97 -42.79 90.76 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 123.508 0.505 . . . . 71.32 110.227 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -70.1 -26.66 64.08 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.063 -0.971 . . . . 72.33 111.24 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 80.8 m -67.5 -35.76 79.76 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.09 -0.707 . . . . 74.31 109.09 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.58 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 44.5 m-85 -63.5 -60.53 3.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 71.42 110.508 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.588 HD11 HD21 ' C' ' 777' ' ' LEU . 15.0 mt -64.42 -34.56 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 124.135 0.897 . . . . 74.04 111.796 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -75.46 -46.51 32.11 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.668 -0.493 . . . . 73.1 109.668 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.4 62.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.311 0.644 . . . . 71.11 111.883 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.7 ttt -73.31 -59.71 2.58 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.823 -1.177 . . . . 72.22 107.823 172.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.858 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 27.8 mt -71.9 -17.96 62.07 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.703 1.201 . . . . 74.25 113.13 -172.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 763' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 73' ' ' LEU . 6.1 t -69.93 -16.31 63.19 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.279 0.632 . . . . 64.31 111.583 -177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.561 ' ND2' ' HB3' ' A' ' 71' ' ' LEU . 2.4 p30 -127.2 -51.11 1.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.222 1.009 . . . . 74.12 109.204 173.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 8' ' ' VAL . 13.4 tp -82.59 64.75 7.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.442 1.497 . . . . 75.03 108.596 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -84.32 53.08 2.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.98 -1.009 . . . . 62.3 111.011 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 27.8 p 178.74 110.12 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.747 1.219 . . . . 74.22 109.854 176.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.8 156.6 18.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.655 0.382 . . . . 70.32 111.369 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.7 t -78.99 155.71 28.77 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 123.283 0.633 . . . . 74.34 109.724 169.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.423 ' O ' HD12 ' C' ' 770' ' ' LEU . 7.6 tp -63.25 -27.4 69.32 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.617 -0.719 . . . . 73.41 110.39 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.53 -43.46 62.31 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 118.224 0.466 . . . . 73.12 111.795 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -64.37 -61.33 2.3 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.808 0.843 . . . . 61.14 111.633 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -35.89 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 115.385 -0.825 . . . . 73.03 111.35 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.458 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 58.1 t80 -65.15 -51.63 60.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.474 0.71 . . . . 64.3 109.768 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -50.79 -46.9 59.85 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 124.205 0.941 . . . . 65.13 111.796 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 776' ' ' MET . . . . . 0.541 ' SD ' HD12 ' A' ' 68' ' ' ILE . 30.5 mtm -65.71 -52.01 54.74 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.525 0.516 . . . . 72.24 111.279 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.588 HD21 HD11 ' C' ' 758' ' ' ILE . 6.4 mp -54.4 -36.51 64.02 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.018 0.437 . . . . 71.44 111.45 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.467 ' HA ' HG12 ' C' ' 781' ' ' VAL . 20.9 mmm180 -67.54 -49.9 61.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.137 -0.938 . . . . 64.31 111.468 177.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 779' ' ' MET . . . . . 0.469 ' HG2' ' HA ' ' C' ' 776' ' ' MET . 11.6 ptm -58.72 -41.28 86.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 118.178 0.445 . . . . 72.12 110.203 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -71.97 -29.77 64.58 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.385 0.513 . . . . 70.44 112.385 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.2 p -81.01 -26.19 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 117.947 0.34 . . . . 74.14 111.835 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 782' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' C' ' 789' ' ' GLU . 21.6 m -92.9 -23.35 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 112.883 0.697 . . . . 64.31 112.883 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 4.7 p -65.22 -18.06 65.0 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.104 0.478 . . . . 71.32 111.541 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -136.5 178.28 18.95 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 109.999 -1.241 . . . . 70.44 109.999 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -58.64 -38.82 87.47 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.928 1.752 . . . . 65.15 111.081 167.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 42.19 -81.17 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.514 1.926 . . . . 72.13 114.412 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 787' ' ' LEU . . . . . 0.716 HD21 ' HA ' ' C' ' 747' ' ' LYS . 86.3 mt -140.18 29.95 2.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.291 1.037 . . . . 74.51 111.381 -176.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.29 33.13 20.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.283 1.033 . . . . 44.15 111.587 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 789' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' C' ' 782' ' ' VAL . 73.5 mt-10 69.76 118.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.651 1.581 . . . . 64.21 111.575 -171.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' C' ' 777' ' ' LEU . 11.6 pt -72.34 154.71 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.626 0.77 . . . . 63.12 110.563 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 791' ' ' ASP . . . . . 0.403 ' OD1' ' HG3' ' C' ' 793' ' ' GLN . 11.0 t70 -105.54 168.54 9.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.907 -1.042 . . . . 71.5 109.736 -168.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.43 -36.83 79.63 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.409 0.684 . . . . 62.33 111.709 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 793' ' ' GLN . . . . . 0.403 ' HG3' ' OD1' ' C' ' 791' ' ' ASP . 3.9 pp0? -76.83 -22.08 54.12 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.561 0.619 . . . . 73.4 110.887 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.36 -46.09 61.29 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.136 0.493 . . . . 71.22 109.769 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.458 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -63.2 -57.66 9.77 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.774 1.23 . . . . 75.01 109.405 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -57.72 -45.62 85.51 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 113.632 -1.622 . . . . 74.5 110.516 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.47 -39.47 96.36 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 124.096 0.873 . . . . 43.04 112.972 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.19 -53.32 56.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.939 0.896 . . . . 75.35 109.932 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 803' ' ' VAL . 66.1 mt -66.23 -40.82 90.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.122 -1.399 . . . . 35.53 111.995 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -44.07 94.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.495 1.118 . . . . 72.43 109.52 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -55.56 33.56 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.326 1.016 . . . . 72.24 109.855 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.4 mmtt -52.27 -44.73 65.1 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 123.988 0.805 . . . . 72.34 112.971 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 75.9 t -64.88 -46.34 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.868 0.467 . . . . 74.31 110.919 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -80.07 -6.34 57.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.321 0.648 . . . . 60.33 111.958 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.72 -8.14 56.44 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.328 1.051 . . . . 70.31 110.749 172.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.0 13.49 7.87 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.811 1.644 . . . . 72.44 111.352 -173.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -79.36 -42.93 24.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.516 1.126 . . . . 70.24 109.353 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.7 OUTLIER -122.34 148.2 45.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.26 1.024 . . . . 52.14 108.565 -172.273 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 52.6 t -106.9 124.25 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.438 0.695 . . . . 51.23 109.422 171.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 810' ' ' TYR . . . . . 0.425 ' HB2' HG21 ' C' ' 803' ' ' VAL . 17.9 t80 -97.21 114.15 25.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 106.909 -1.515 . . . . 64.22 106.909 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 44.4 m -90.35 -142.39 0.16 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 108.35 -0.981 . . . . 72.11 108.35 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.88 72.75 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.667 0.667 . . . . 55.24 110.731 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.82 76.74 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.599 -0.728 . . . . 65.34 113.884 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.41 157.09 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.096 0.558 . . . . 64.11 110.123 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -108.37 144.64 35.66 Favored 'General case' 0 C--O 1.25 1.082 0 C-N-CA 123.169 0.588 . . . . 70.01 110.758 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -156.18 139.04 15.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.556 -1.202 . . . . 74.21 109.426 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.858 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 3.1 tp -85.27 122.03 73.8 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.297 -0.631 . . . . 73.33 109.297 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--N 1.369 1.656 0 C-N-CA 121.989 1.793 . . . . 62.14 110.108 170.9 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 110.767 -0.933 . . . . 64.2 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.63 145.84 39.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.024 0.929 . . . . 63.42 109.328 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.598 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -109.0 125.82 52.46 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.696 -0.483 . . . . 72.3 109.696 -172.309 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 156.98 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 74.31 110.899 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.7 m-85 -106.92 118.98 38.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.897 0.879 . . . . 71.11 108.972 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.8 t -110.15 98.94 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 108.757 -0.831 . . . . 60.25 108.757 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.05 99.01 4.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.784 0.833 . . . . 71.35 109.588 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 169' ' ' LEU . 7.8 t -89.38 132.92 34.74 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 109.016 -0.735 . . . . 63.43 109.016 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.36 146.51 10.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.886 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.679 ' HB2' ' HB3' ' B' ' 109' ' ' GLN . 74.2 mt-30 -135.35 83.59 2.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.289 -1.374 . . . . 63.52 107.289 168.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HD1' ' HE ' ' C' ' 772' ' ' ARG . 9.7 t-105 -105.07 104.03 13.68 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 106.553 -1.647 . . . . 74.52 106.553 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -157.8 144.4 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.708 -0.678 . . . . 74.24 111.558 -163.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 ' HB3' ' B' ' 104' ' ' PHE . 1.8 m -88.86 122.67 32.48 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.808 -0.812 . . . . 71.44 108.808 174.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.26 133.02 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.236 . . . . 70.34 108.611 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -99.22 112.79 24.87 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.603 -0.517 . . . . 71.03 109.603 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.684 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -132.46 170.91 14.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.101 0.96 . . . . 64.4 109.356 -178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.26 149.34 26.98 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.408 0.623 . . . . 75.14 110.152 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -142.97 155.23 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.134 -1.394 . . . . 62.43 109.26 169.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mp0 -109.94 135.13 20.5 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.98 0.912 . . . . 65.42 109.672 -170.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 50.9 Cg_exo -56.03 -38.41 94.79 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.845 3.03 . . . . 73.11 114.481 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 m -82.37 -6.81 59.51 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.033 -0.53 . . . . 51.14 111.456 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.36 151.93 27.74 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 122.705 0.402 . . . . 72.33 110.447 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -79.04 166.31 22.45 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.79 0.681 . . . . 63.54 111.389 173.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.759 HG21 ' HB3' ' A' ' 50' ' ' LEU . 39.5 mm -74.38 -28.62 22.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.773 -1.103 . . . . 74.01 110.106 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.98 -28.47 51.94 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.969 0.907 . . . . 74.21 111.536 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 25.5 m120 -65.51 -50.52 64.95 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 124.124 0.97 . . . . 73.35 110.535 174.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.6 -41.87 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.604 0.762 . . . . 63.54 110.233 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG3' ' NE2' ' A' ' 41' ' ' GLN . 32.5 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.819 1.248 . . . . 73.11 110.54 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.84 -26.42 64.21 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 114.621 -1.172 . . . . 54.42 111.302 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -74.91 -42.6 57.47 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 122.842 0.457 . . . . 62.14 110.755 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.598 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.9 pt -69.31 -34.52 63.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 109.987 -0.375 . . . . 64.03 109.987 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.63 -39.54 80.74 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.596 0.236 . . . . 75.41 111.159 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.52 -50.52 58.37 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.578 0.751 . . . . 51.01 111.223 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 68.4 mmtt -80.5 -57.43 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.289 -0.869 . . . . 73.21 110.298 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 42.7 mm-40 -90.73 -24.14 20.48 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.165 0.586 . . . . 62.23 112.008 -168.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.14 36.09 36.35 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 112.198 -0.361 . . . . 64.22 112.198 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.598 HD12 ' HB ' ' A' ' 30' ' ' ILE . 90.3 mt -82.74 117.39 68.38 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.909 0.884 . . . . 71.31 109.127 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.8 Cg_endo -61.59 114.29 2.19 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.899 2.399 . . . . 74.41 111.579 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 10.1 Cg_endo -51.08 -40.48 59.47 Favored 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 124.123 3.216 . . . . 75.32 112.952 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.92 -38.71 86.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.361 -1.29 . . . . 73.03 112.223 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 71.9 mt-30 -97.51 4.97 50.25 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.452 0.701 . . . . 70.21 112.044 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -92.11 135.14 34.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.412 1.085 . . . . 75.22 110.669 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.8 76.89 1.75 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.365 1.066 . . . . 72.4 109.19 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 67' ' ' LEU . 39.9 mt -71.91 135.38 46.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.939 0.496 . . . . 71.21 109.943 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -132.48 121.4 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 108.407 -0.96 . . . . 70.5 108.407 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.0 t80 -109.71 116.22 31.3 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.286 1.034 . . . . 71.05 108.808 -173.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 20.56 6.19 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.922 0.889 . . . . 72.23 112.925 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 88.27 27.11 26.36 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.403 -0.362 . . . . 55.24 113.518 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -135.13 134.24 40.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.978 0.911 . . . . 64.31 110.06 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -81.45 133.2 35.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.345 0.658 . . . . 74.03 110.165 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 23' ' ' ILE . 3.4 mm? -78.12 105.93 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.301 1.04 . . . . 74.41 111.455 -173.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -78.58 124.61 28.35 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.874 0.87 . . . . 71.35 109.842 170.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.93 -44.1 78.03 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.316 -1.311 . . . . 75.24 112.804 -169.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.04 14.02 61.7 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 115.126 -0.943 . . . . 63.11 114.359 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -97.69 170.03 9.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.641 0.72 . . . . 53.12 109.118 175.132 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.8 p -101.55 168.72 9.31 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 121.041 0.448 . . . . 74.23 110.187 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 61' ' ' ILE . 3.8 mm? -66.44 -41.78 88.66 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 115.174 -0.921 . . . . 71.3 108.754 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -69.12 -29.96 68.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.504 0.322 . . . . 62.1 110.963 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.0 -31.08 68.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.545 0.738 . . . . 73.44 110.191 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -95.71 -3.36 46.11 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 114.777 -1.101 . . . . 74.44 111.513 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t30 52.18 50.38 18.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.249 1.019 . . . . 60.31 109.325 -175.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -64.77 98.61 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 114.121 -1.4 . . . . 73.24 108.059 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 19.0 pt20 -78.45 165.86 23.29 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.673 -0.694 . . . . 64.22 110.611 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.2 ttmt -68.51 135.42 51.57 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.377 -0.829 . . . . 73.3 109.889 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 37.9 mt-10 61.57 34.3 17.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.78 1.232 . . . . 75.34 111.937 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.49 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 8.1 t -85.4 167.26 15.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.298 -0.864 . . . . 75.53 109.411 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 139.44 50.15 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.55 0.69 . . . . 71.1 111.365 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 105' ' ' VAL . 44.1 tp -123.63 145.04 49.23 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.988 1.715 . . . . 71.02 107.673 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 7.5 tt -122.7 135.75 61.75 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 109.338 -0.616 . . . . 74.33 109.338 170.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -95.66 114.08 25.79 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.261 0.625 . . . . 63.5 109.413 173.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.5 mp -97.18 153.07 18.22 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.02 -1.845 . . . . 72.33 106.02 166.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -108.41 173.72 6.2 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 109.241 -0.651 . . . . 63.23 109.241 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -50.98 109.14 0.29 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.761 0.663 . . . . 62.13 110.44 173.142 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' C' ' 763' ' ' THR . 2.5 pt? -62.9 -16.5 59.22 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 124.132 0.895 . . . . 71.31 112.244 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 108.797 -0.816 . . . . 73.43 108.797 172.46 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.009 -0.836 . . . . 65.45 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.63 152.01 18.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.135 -0.691 . . . . 42.44 109.135 175.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 2.2 mm100 -83.77 153.58 24.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.316 -0.994 . . . . 63.33 108.316 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.9 pt -143.46 157.84 16.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 123.652 0.781 . . . . 64.14 109.81 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HB3' HG22 ' A' ' 12' ' ' THR . 20.7 m-85 -116.7 107.66 14.95 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.73 -1.211 . . . . 63.33 107.73 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.684 HG13 HD21 ' A' ' 15' ' ' LEU . 16.0 m -101.06 123.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.058 0.456 . . . . 62.53 110.923 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 5.0 m-20 -83.28 97.99 9.18 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.735 -1.209 . . . . 74.3 107.735 175.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 t -93.88 140.42 29.71 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 115.475 -0.784 . . . . 65.52 110.37 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.94 117.16 54.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-N 114.276 -1.329 . . . . 64.53 107.664 171.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 9' ' ' GLN . 6.7 tp-100 -138.46 102.66 4.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.542 0.737 . . . . 72.13 109.531 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -107.61 132.83 52.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.563 0.745 . . . . 62.13 109.116 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -130.35 116.4 18.24 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.597 0.759 . . . . 75.22 110.349 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 m -81.32 111.32 17.59 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.135 -0.691 . . . . 60.1 109.135 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 48.1 mt -89.99 156.94 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 107.443 -1.317 . . . . 73.51 107.443 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 52.1 m -142.47 111.56 6.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.931 -0.766 . . . . 51.41 108.931 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.57 139.34 42.1 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.751 -0.659 . . . . 71.11 109.827 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 39.4 tt0 -81.68 141.65 33.42 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.234 -0.654 . . . . 74.11 109.234 174.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 12.3 p -142.64 164.67 16.96 Favored 'Isoleucine or valine' 0 C--O 1.247 0.936 0 C-N-CA 123.899 0.88 . . . . 64.13 108.831 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -105.95 151.59 40.07 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 123.286 0.634 . . . . 71.24 109.824 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.04 -32.57 43.71 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 122.573 2.182 . . . . 73.04 112.033 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.86 -10.66 59.24 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.178 0.591 . . . . 64.33 111.766 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.18 156.71 38.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.311 0.382 . . . . 71.21 110.307 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' THR . . . . . 0.442 ' OG1' ' HG2' ' B' ' 124' ' ' GLU . 1.8 p -86.8 162.91 17.55 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.291 0.567 . . . . 55.31 110.758 169.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 30.3 mm -71.15 -21.59 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 CA-C-N 115.325 -0.852 . . . . 43.14 109.402 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' B' ' 127' ' ' LYS . 11.7 pt-20 -65.66 -16.44 63.74 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.759 0.824 . . . . 74.03 111.495 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.1 m-80 -59.4 -57.93 10.85 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.638 0.587 . . . . 74.14 109.489 165.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.49 -35.82 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.293 0.637 . . . . 74.34 110.159 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' LYS . . . . . 0.58 ' HB3' ' HA ' ' B' ' 124' ' ' GLU . 4.4 tmmm? -58.84 -49.62 77.06 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.332 1.053 . . . . 74.23 110.528 173.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.1 74.69 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.875 -0.602 . . . . 72.01 110.523 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.2 mmtp -71.45 -42.09 68.63 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.075 0.55 . . . . 64.5 111.285 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.4 -28.18 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 110.25 -0.278 . . . . 63.5 110.25 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.64 -33.44 53.57 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.317 0.647 . . . . 55.53 110.956 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.35 -50.4 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.668 0.787 . . . . 55.0 109.928 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -83.32 -54.75 4.76 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 114.919 -1.037 . . . . 52.04 112.198 -173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -91.12 -22.42 20.7 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.854 0.297 . . . . 72.25 110.48 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 82.86 26.27 46.14 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.97 -0.559 . . . . 73.5 112.881 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 59.3 mt -91.12 104.78 10.4 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 124.131 0.972 . . . . 73.32 110.085 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 50.6 Cg_exo -59.18 154.26 47.23 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.888 2.392 . . . . 61.32 112.743 172.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 138' ' ' PRO . . . . . 0.421 ' HD3' ' HD3' ' B' ' 127' ' ' LYS . 15.9 Cg_endo -53.74 -31.6 61.94 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 124.118 3.212 . . . . 70.32 113.003 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.45 -45.76 73.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.895 1.372 . . . . 75.23 112.064 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -104.05 13.51 32.4 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.006 0.522 . . . . 74.11 112.39 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -76.84 100.91 5.67 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 109.516 -0.55 . . . . 72.12 109.516 168.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.744 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 7.6 tpt180 -100.95 71.19 1.41 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 107.538 -1.282 . . . . 73.34 107.538 166.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 101.93 11.68 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 107.766 -1.198 . . . . 72.33 107.766 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -100.0 149.91 22.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.762 -0.829 . . . . 63.23 108.762 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -143.26 108.4 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.657 1.183 . . . . 52.14 107.868 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.61 23.84 13.6 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.812 0.845 . . . . 65.54 112.774 174.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.66 15.68 45.44 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.356 -0.384 . . . . 64.44 113.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -139.42 128.69 24.03 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.056 0.542 . . . . 64.4 110.126 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.55 161.18 28.48 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.013 0.925 . . . . 71.4 111.46 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.639 HD11 HD23 ' B' ' 167' ' ' LEU . 52.3 mt -115.92 117.94 31.56 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 123.703 0.801 . . . . 52.13 109.629 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 151' ' ' GLU . . . . . 0.521 ' HB2' ' HD3' ' B' ' 154' ' ' ARG . 4.7 mp0 -78.73 131.28 36.53 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.036 -1.098 . . . . 74.34 108.036 170.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 152' ' ' ASP . . . . . 0.576 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 11.2 p-10 -59.62 -30.34 68.63 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.085 0.554 . . . . 72.23 111.675 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.3 6.5 63.72 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 114.457 0.543 . . . . 73.34 114.457 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.521 ' HD3' ' HB2' ' B' ' 151' ' ' GLU . 0.9 OUTLIER -97.26 167.8 10.81 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 109.106 -0.702 . . . . 74.25 109.106 176.566 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 155' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 12.3 p -96.99 167.32 11.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.64 0.376 . . . . 50.53 110.84 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 156' ' ' LEU . . . . . 0.447 HD12 HG21 ' B' ' 161' ' ' ILE . 3.2 mm? -67.05 -38.72 86.34 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 108.82 -0.807 . . . . 73.42 108.82 172.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.1 t -66.47 -29.66 69.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.348 0.659 . . . . 74.4 111.657 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.23 -32.48 62.31 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.28 0.632 . . . . 75.53 111.289 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.19 -2.46 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.46 0.704 . . . . 73.55 110.914 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 59.7 t30 53.53 53.47 11.53 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.092 0.957 . . . . 75.13 109.735 -174.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.447 HG21 HD12 ' B' ' 156' ' ' LEU . 3.5 mm -64.12 111.58 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.562 -1.199 . . . . 72.03 109.681 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -87.52 165.7 15.31 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 121.647 0.737 . . . . 71.14 110.56 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -64.79 142.08 58.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 108.082 -1.081 . . . . 61.33 108.082 170.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.1 20.22 10.35 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.319 1.448 . . . . 74.43 112.268 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.0 m -54.88 126.16 23.19 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 118.566 0.621 . . . . 61.31 110.878 167.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -104.65 115.85 31.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.395 0.678 . . . . 73.13 109.658 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.639 HD23 HD11 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -118.23 151.61 37.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.541 1.137 . . . . 71.02 108.134 -174.029 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.0 tt -117.91 116.65 52.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-O 121.789 0.804 . . . . 74.32 110.19 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 57.3 tp -89.99 103.92 16.54 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.63 -1.168 . . . . 71.25 109.935 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 170' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 142' ' ' ARG . 71.5 mt -103.43 161.58 13.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.953 1.301 . . . . 71.55 109.597 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.94 140.8 37.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.947 -1.131 . . . . 75.05 107.947 164.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 172' ' ' THR . . . . . 0.744 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 40.5 m . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 113.451 0.908 . . . . 72.34 113.451 -173.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 121.041 0.448 . . . . 50.15 110.207 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.26 -42.71 79.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.479 -0.782 . . . . 33.14 110.54 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.05 -56.18 13.86 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.136 1.374 . . . . 73.41 112.128 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.39 -36.37 81.18 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.711 0.632 . . . . 54.03 111.859 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.32 -55.62 32.59 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.055 0.847 . . . . 61.14 111.507 171.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.1 -24.59 67.48 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.096 -0.502 . . . . 72.22 111.037 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.61 -39.64 67.11 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.146 0.579 . . . . 72.33 109.726 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.59 -36.29 83.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.834 0.854 . . . . 63.42 110.323 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.2 -34.63 71.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.018 -0.992 . . . . 74.1 109.781 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.37 -34.35 65.54 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.001 0.92 . . . . 70.21 109.364 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.479 ' O ' HG13 ' C' ' 758' ' ' ILE . 12.4 m-85 -65.59 -39.6 91.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.975 -1.011 . . . . 72.02 109.829 171.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -72.79 -26.03 61.37 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 115.677 -0.692 . . . . 73.43 110.262 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 81.7 m -64.39 -39.82 94.61 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 108.917 -0.771 . . . . 63.14 108.917 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 757' ' ' TYR . . . . . 0.449 ' HA ' HD21 ' A' ' 70' ' ' LEU . 32.7 m-85 -59.21 -66.86 0.44 Allowed 'General case' 0 C--N 1.361 1.098 0 O-C-N 123.864 0.728 . . . . 74.32 110.311 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.487 HG23 HG21 ' C' ' 773' ' ' ILE . 13.4 mt -62.8 -36.62 76.26 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 O-C-N 124.197 0.935 . . . . 40.54 111.069 -166.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.74 -61.93 1.98 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.664 0.386 . . . . 71.33 110.184 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.512 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -65.2 -20.62 66.52 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.226 0.536 . . . . 71.31 111.155 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.562 ' HG2' ' HB2' ' C' ' 766' ' ' GLU . 25.5 ttt -74.53 -59.65 2.64 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 125.113 1.365 . . . . 53.42 109.925 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 762' ' ' LEU . . . . . 0.461 ' HB2' HD22 ' C' ' 817' ' ' LEU . 75.0 mt -61.29 -25.3 67.01 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 124.25 1.02 . . . . 74.52 112.213 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 763' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 73' ' ' LEU . 26.3 m -49.59 -32.58 13.04 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.657 1.583 . . . . 74.14 113.126 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -151.96 -28.73 0.17 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.042 0.537 . . . . 71.11 111.219 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 765' ' ' LEU . . . . . 0.477 HD12 ' HG3' ' C' ' 761' ' ' MET . 1.4 tm? -93.57 -72.51 0.6 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.383 1.073 . . . . 73.22 110.775 -167.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 766' ' ' GLU . . . . . 0.696 ' HG2' HG23 ' C' ' 773' ' ' ILE . 13.4 tp10 -85.25 42.77 0.96 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.768 -0.583 . . . . 74.33 112.466 -166.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 50.8 m -70.61 52.15 0.14 Allowed 'General case' 0 CA--C 1.57 1.736 0 C-N-CA 123.97 0.908 . . . . 62.24 112.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -122.79 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.636 1.174 . . . . 74.32 111.005 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 34.4 t -74.08 143.56 45.36 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.854 1.057 . . . . 44.33 113.854 -156.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 770' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' C' ' 773' ' ' ILE . 12.7 tp -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.838 -1.074 . . . . 52.43 110.565 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -53.99 -33.4 56.98 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.382 0.61 . . . . 74.45 110.736 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.48 ' HE ' ' HD1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -67.3 -66.45 0.56 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.519 -1.218 . . . . 75.33 111.208 -176.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.696 HG23 ' HG2' ' C' ' 766' ' ' GLU . 0.2 OUTLIER -60.25 -30.39 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-N 118.994 0.816 . . . . 71.2 111.269 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.28 -57.85 11.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.385 0.274 . . . . 64.44 110.439 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -69.44 -28.72 66.36 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.006 0.373 . . . . 64.05 112.006 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -61.77 -55.21 32.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.028 0.442 . . . . 61.13 110.155 171.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.433 HD21 HG12 ' C' ' 758' ' ' ILE . 1.0 OUTLIER -55.01 -38.37 67.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.654 1.581 . . . . 75.42 112.378 176.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -64.46 -43.74 93.29 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 123.664 0.785 . . . . 74.43 110.559 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -57.41 -47.18 82.41 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.689 -0.687 . . . . 61.04 110.605 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.32 -34.33 75.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.444 0.535 . . . . 72.01 112.444 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.448 HG11 HG12 ' C' ' 790' ' ' ILE . 6.2 p -79.08 -26.31 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.705 0.261 . . . . 70.44 111.705 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.05 -34.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 122.089 -0.382 . . . . 60.15 110.668 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.5 p -77.56 -26.19 50.72 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.054 0.455 . . . . 65.11 110.742 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.89 93.61 0.55 Allowed Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 108.743 -1.743 . . . . 72.12 108.743 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -70.65 11.56 0.48 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.38 2.72 . . . . 61.23 113.832 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.89 56.78 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.801 1.24 . . . . 74.22 112.989 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 68.2 mt -112.89 -5.12 13.86 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.315 0.646 . . . . 75.22 110.995 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.9 -67.75 0.14 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.63 1.572 . . . . 52.21 111.672 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -147.53 115.85 6.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.838 1.255 . . . . 71.54 108.911 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.448 HG12 HG11 ' C' ' 781' ' ' VAL . 31.7 pt -77.48 153.39 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.877 -0.786 . . . . 72.15 108.877 165.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 791' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' C' ' 793' ' ' GLN . 16.2 t70 -113.19 167.03 10.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.906 0.483 . . . . 54.53 109.915 -173.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.24 -54.18 49.71 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 123.667 0.787 . . . . 72.35 110.661 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 793' ' ' GLN . . . . . 0.414 ' HG3' ' OD2' ' C' ' 791' ' ' ASP . 0.0 OUTLIER -63.02 -32.91 74.38 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.996 0.369 . . . . 60.25 111.996 -175.376 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.08 -49.78 33.6 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.089 0.556 . . . . 53.45 111.899 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.85 -49.85 41.68 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.668 0.787 . . . . 73.11 109.393 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 796' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' C' ' 799' ' ' LEU . 54.0 tt0 -58.28 -46.58 85.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 71.22 111.211 171.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.19 77.18 Favored Glycine 0 N--CA 1.477 1.414 0 O-C-N 123.57 0.544 . . . . 62.32 113.837 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.43 ' O ' ' HG2' ' C' ' 802' ' ' LYS . 29.6 t80 -65.27 -52.63 53.09 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.956 0.902 . . . . 74.32 109.052 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 799' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 796' ' ' GLN . 12.1 mt -56.84 -39.8 74.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.734 1.214 . . . . 70.12 111.801 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -43.38 90.07 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.841 1.257 . . . . 63.44 109.776 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -52.6 65.0 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 108.525 -0.917 . . . . 73.34 108.525 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.1 mmtt -53.62 -46.31 70.42 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.023 0.827 . . . . 73.12 111.963 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 803' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.2 t -60.35 -49.64 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.368 0.667 . . . . 74.34 110.476 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -73.72 -9.41 58.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.676 . . . . 72.32 112.362 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -94.61 -1.33 53.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.77 0.828 . . . . 74.14 112.038 174.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 65.5 12.19 7.98 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.417 1.487 . . . . 72.42 111.107 -173.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -79.94 -24.76 40.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.175 0.99 . . . . 72.4 109.421 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.8 OUTLIER -134.53 146.77 50.0 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.593 1.157 . . . . 73.54 108.197 -178.511 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.71 119.73 60.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 C-N-CA 123.826 0.85 . . . . 72.43 108.869 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -93.23 106.63 18.57 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.089 -1.448 . . . . 62.52 107.089 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 37.4 t -89.53 -133.67 0.1 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.478 -0.934 . . . . 70.32 108.478 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.9 72.24 2.08 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.025 0.83 . . . . 60.14 111.128 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.62 23.62 77.56 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 116.234 -0.439 . . . . 72.24 112.561 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.28 150.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.201 0.6 . . . . 72.44 110.248 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.14 134.77 46.0 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 109.198 -0.667 . . . . 74.22 109.198 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 141.8 22.33 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.129 -0.941 . . . . 74.34 109.18 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 817' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' C' ' 762' ' ' LEU . 1.0 OUTLIER -86.46 127.16 61.96 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-N 118.017 0.371 . . . . 74.25 110.603 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.377 2.071 0 C-N-CA 122.626 2.218 . . . . 74.11 112.231 177.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.95 -0.46 . . . . 45.04 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.47 163.62 36.62 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.898 0.879 . . . . 71.45 109.275 -171.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.689 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 0.5 OUTLIER -99.89 159.45 15.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.745 -0.661 . . . . 72.45 109.326 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 115' ' ' LEU . 14.1 pt -135.72 162.15 37.44 Favored 'Isoleucine or valine' 0 C--O 1.247 0.943 0 C-N-CA 124.306 1.042 . . . . 63.42 108.878 174.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 23.0 m-85 -115.56 117.32 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.322 -0.853 . . . . 73.13 108.863 172.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 47.4 t -96.22 93.2 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.692 -1.225 . . . . 73.41 107.692 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 97.6 8.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.098 -0.956 . . . . 75.43 110.475 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -94.36 128.57 40.96 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.079 0.466 . . . . 72.33 110.421 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.98 141.09 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.894 0.878 . . . . 71.24 109.841 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -139.05 148.28 43.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.527 0.731 . . . . 74.22 109.654 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.402 ' HZ2' ' HE2' ' C' ' 761' ' ' MET . 23.1 m95 -94.28 118.88 32.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.542 -0.91 . . . . 72.53 108.542 170.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -127.86 113.17 15.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.829 0.347 . . . . 73.55 110.993 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 28.0 m -88.08 129.08 35.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.254 0.622 . . . . 73.13 110.15 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 mm -107.3 112.54 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.821 -0.807 . . . . 73.23 108.821 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' CD1' ' B' ' 104' ' ' PHE . 25.6 p -87.3 128.1 35.18 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.64 0.376 . . . . 74.53 110.746 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.07 170.08 16.58 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.82 0.848 . . . . 44.44 110.04 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 3.3 tm-20 -121.47 132.95 55.02 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 106.916 -1.512 . . . . 74.34 106.916 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG22 ' A' ' 26' ' ' VAL . 12.0 m -136.17 172.15 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.197 0.599 . . . . 63.1 111.502 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -104.63 155.03 38.03 Favored Pre-proline 0 N--CA 1.479 0.985 0 N-CA-C 108.728 -0.841 . . . . 74.41 108.728 173.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.85 -36.02 33.23 Favored 'Trans proline' 0 C--N 1.365 1.426 0 C-N-CA 122.326 2.017 . . . . 70.04 111.24 170.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 p -78.78 -11.25 59.98 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.417 0.687 . . . . 73.35 112.172 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.77 153.5 43.15 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.555 0.742 . . . . 74.54 110.171 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -82.72 157.3 23.35 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.645 0.736 . . . . 75.13 110.311 167.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.79 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.3 mm -69.06 -28.24 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.389 -1.278 . . . . 64.34 111.045 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.03 -18.88 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.052 0.541 . . . . 70.34 111.085 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 10.3 m120 -66.0 -52.41 49.62 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.039 0.837 . . . . 63.41 109.424 169.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HG11 ' A' ' 17' ' ' VAL . 96.0 t -54.43 -49.06 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.319 1.048 . . . . 74.55 110.549 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -58.34 -48.56 80.16 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.893 -1.503 . . . . 71.35 111.008 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.57 66.05 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.615 -0.72 . . . . 34.52 111.501 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 71.1 mmtt -72.98 -46.49 52.0 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 122.835 0.454 . . . . 75.55 110.329 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.695 ' HB ' HD12 ' A' ' 36' ' ' ILE . 16.0 pt -69.77 -32.38 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 CA-C-O 120.789 0.328 . . . . 74.15 110.779 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -66.74 -35.46 80.17 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 123.415 0.686 . . . . 55.02 110.91 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.84 -49.01 64.55 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.56 0.744 . . . . 71.51 110.48 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.2 mmtt -75.49 -65.65 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.558 0.743 . . . . 71.21 110.881 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HB3' HG13 ' A' ' 36' ' ' ILE . 40.6 tt0 -90.27 -31.17 17.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.805 0.442 . . . . 74.32 111.031 -172.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 27.05 9.1 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.848 -0.615 . . . . 60.51 112.17 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.695 HD12 ' HB ' ' A' ' 30' ' ' ILE . 57.7 mt -65.6 112.76 9.4 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.103 0.961 . . . . 64.43 110.665 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 Cg_endo -70.13 111.27 2.84 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.215 2.61 . . . . 71.4 112.583 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 Cg_endo -57.97 -37.77 94.72 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.843 3.028 . . . . 61.35 114.128 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.67 -41.67 82.02 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 124.399 1.062 . . . . 73.12 112.39 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -11.13 30.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.178 -0.464 . . . . 63.43 111.75 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -78.73 143.54 36.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.873 0.869 . . . . 53.23 111.629 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -136.53 74.01 1.48 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.317 1.447 . . . . 61.5 107.148 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.91 121.17 17.63 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.618 -0.882 . . . . 53.4 108.618 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 15.7 mt -125.71 143.96 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.81 0.844 . . . . 70.22 110.681 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 50' ' ' LEU . 27.0 t80 -131.8 112.77 12.78 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.914 1.686 . . . . 61.44 109.419 -174.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.39 18.96 9.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.679 0.792 . . . . 71.14 112.171 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.99 59.01 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.638 -0.71 . . . . 60.22 113.936 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -122.52 112.56 18.18 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 107.649 -1.241 . . . . 52.42 107.649 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 34.8 tt0 -70.33 137.01 50.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.772 -0.649 . . . . 74.21 109.809 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.1 mm? -80.43 100.82 8.68 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 124.19 0.996 . . . . 52.21 108.789 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 11.9 mp0 -65.08 123.49 19.62 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.536 -1.283 . . . . 75.53 107.536 166.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.24 -36.87 78.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.969 0.508 . . . . 61.3 111.438 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 13.35 31.21 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.575 -0.569 . . . . 72.5 114.223 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.0 tpt180 -98.31 178.48 5.04 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.824 0.85 . . . . 72.35 109.222 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 57' ' ' SER . 19.7 m -108.94 150.72 27.31 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.306 -0.627 . . . . 71.43 109.306 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 23' ' ' ILE . 3.5 mm? -57.59 -40.07 78.2 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.477 -0.564 . . . . 74.33 109.477 175.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 55' ' ' THR . 44.2 t -62.76 -29.04 70.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.352 1.061 . . . . 74.12 113.182 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.09 -35.93 69.99 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.23 0.538 . . . . 63.31 110.786 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 61' ' ' ILE . 51.8 m-85 -93.36 -8.3 42.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.148 -0.933 . . . . 74.24 110.263 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 t30 48.72 56.61 7.38 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.705 1.202 . . . . 75.31 109.763 -168.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 59' ' ' TYR . 3.3 mm -62.22 111.52 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 113.995 -1.457 . . . . 72.22 109.322 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -81.84 -178.86 7.16 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.593 -0.73 . . . . 74.44 110.206 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.8 ttmt -79.01 144.1 35.03 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.573 -0.528 . . . . 75.21 109.573 170.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 40.2 mt-10 63.43 28.41 15.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.869 1.356 . . . . 74.44 111.576 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.9 m -60.89 118.22 6.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 115.44 -0.8 . . . . 44.2 109.546 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 120.51 31.42 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.906 -0.776 . . . . 73.04 108.906 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.83 162.91 16.98 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.942 -1.503 . . . . 62.12 106.942 174.765 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 tt -135.59 138.78 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-O 121.096 0.474 . . . . 52.2 110.322 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -79.97 118.7 21.95 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.347 -0.842 . . . . 70.14 109.828 170.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' C' ' 760' ' ' ALA . 64.7 mt -95.48 158.87 15.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 105.851 -1.907 . . . . 54.21 105.851 159.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' C' ' 764' ' ' ASN . 2.4 pt? -126.38 171.96 10.56 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.406 -0.59 . . . . 51.32 109.406 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.2 m -35.31 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.155 1.382 . . . . 73.43 114.266 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 tp -86.5 -33.47 20.32 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.801 -1.545 . . . . 72.12 108.761 167.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.147 -1.388 . . . . 74.14 109.897 -172.175 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.977 0 N-CA-C 111.024 -0.83 . . . . 71.52 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.441 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -157.56 154.26 28.26 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.46 0.704 . . . . 73.5 110.675 178.106 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 102' ' ' GLN . . . . . 0.81 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 19.4 mp0 -107.55 125.24 51.05 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.327 -0.99 . . . . 75.2 108.327 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.89 160.33 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.984 0.514 . . . . 64.14 110.436 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -120.17 105.7 11.23 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.514 -0.921 . . . . 70.13 108.514 -172.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.457 HG21 HG21 ' A' ' 30' ' ' ILE . 27.6 m -99.25 106.87 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 107.904 -1.147 . . . . 73.51 107.904 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 37.2 t0 -87.7 138.19 31.68 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.864 -1.062 . . . . 70.01 110.311 -170.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 69' ' ' LEU . 62.6 p -129.38 144.15 51.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.54 0.736 . . . . 64.24 111.308 -166.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -91.21 109.34 20.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.37 -0.974 . . . . 50.11 108.37 174.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -98.96 95.24 7.02 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.664 -0.698 . . . . 73.2 109.896 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -99.24 131.97 44.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.28 1.032 . . . . 75.41 109.194 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -132.77 144.33 50.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.763 1.225 . . . . 72.14 108.52 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 40.1 m -115.98 113.15 22.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.894 0.878 . . . . 75.31 109.814 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.595 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 40.5 mt -92.45 159.77 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 108.42 -0.956 . . . . 60.35 108.42 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 64.9 m -132.34 107.41 8.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.244 0.618 . . . . 62.44 109.761 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 3' ' ' ILE . 3.8 tt -117.9 138.73 51.94 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.686 1.194 . . . . 65.31 108.504 -172.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.689 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 26.2 mt-10 -102.98 117.39 34.48 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.337 0.589 . . . . 65.11 110.21 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.8 p -124.74 166.12 20.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 115.045 -0.98 . . . . 74.44 110.707 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -109.66 152.62 42.95 Favored Pre-proline 0 N--CA 1.476 0.847 0 N-CA-C 108.777 -0.823 . . . . 72.21 108.777 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.89 -32.6 54.79 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.185 1.923 . . . . 72.34 111.302 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 40.7 m -87.65 5.53 39.14 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.934 0.894 . . . . 74.03 112.392 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -82.34 153.24 25.88 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.566 -0.531 . . . . 74.15 109.566 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -82.75 165.75 19.65 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.52 -0.764 . . . . 70.25 109.604 165.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 154' ' ' ARG . 30.9 mm -64.3 -28.1 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 115.373 -0.83 . . . . 75.31 110.897 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.14 -28.21 62.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.482 0.713 . . . . 72.02 111.493 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 44.4 m-80 -62.31 -55.25 30.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.603 0.761 . . . . 62.11 110.161 174.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.68 -47.49 85.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 C-N-CA 124.27 1.028 . . . . 75.11 110.819 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.38 -38.6 81.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.033 -1.439 . . . . 65.11 110.951 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.67 61.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.968 -0.539 . . . . 55.53 110.89 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 70.7 mmtt -66.59 -56.76 9.26 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 118.237 0.471 . . . . 71.44 110.512 173.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 5' ' ' VAL . 7.9 pt -63.52 -29.39 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 120.853 0.359 . . . . 75.24 111.698 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -66.87 -42.77 85.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.762 0.825 . . . . 64.01 111.506 170.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.95 -38.35 85.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.015 0.526 . . . . 62.34 110.927 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -83.13 -45.66 13.68 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.951 -1.022 . . . . 64.33 112.735 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.3 -8.48 14.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.94 0.719 . . . . 62.33 112.94 -175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.97 23.2 62.08 Favored Glycine 0 N--CA 1.473 1.157 0 CA-C-O 119.859 -0.412 . . . . 62.13 113.262 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.73 112.25 23.31 Favored Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 109.253 -0.647 . . . . 54.13 109.253 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -58.26 130.76 39.34 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.666 2.244 . . . . 62.2 112.032 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.65 -44.32 49.12 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 124.214 3.276 . . . . 70.14 113.919 -168.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.77 -25.16 48.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.281 -0.872 . . . . 63.41 111.024 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.72 20.44 6.45 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.102 0.561 . . . . 73.2 111.48 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' GLN . . . . . 0.438 HE21 HD11 ' B' ' 169' ' ' LEU . 5.0 pt20 -136.59 130.7 32.73 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.466 0.651 . . . . 75.32 110.03 173.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 30.8 mtp-105 -106.89 110.1 22.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.672 1.189 . . . . 64.3 108.906 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -89.95 127.5 36.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.061 -1.089 . . . . 65.41 108.061 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.15 139.46 51.23 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.193 0.597 . . . . 73.13 109.921 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' PHE . . . . . 0.654 ' HB2' HD21 ' B' ' 150' ' ' LEU . 36.9 t80 -142.37 107.09 4.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.148 0.979 . . . . 62.24 109.065 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.86 36.48 27.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.297 0.998 . . . . 65.45 110.615 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.37 6.45 83.9 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.091 -0.959 . . . . 23.01 114.154 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -124.39 126.13 45.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.446 0.698 . . . . 73.14 110.074 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.09 139.48 56.21 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.918 0.487 . . . . 74.02 110.715 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.0 mm? -86.88 105.74 17.27 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.883 0.873 . . . . 55.2 109.193 175.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.67 132.42 44.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.353 1.061 . . . . 74.42 111.236 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -45.65 -57.01 4.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.679 1.591 . . . . 70.05 113.361 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -91.72 27.11 10.3 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.358 -0.837 . . . . 73.53 113.383 -176.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 154' ' ' ARG . . . . . 0.452 ' O ' HG12 ' B' ' 123' ' ' ILE . 63.5 ttt180 -113.67 160.6 18.44 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.522 -1.288 . . . . 74.2 107.522 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 12.1 m -103.4 148.43 25.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.358 0.503 . . . . 70.32 112.358 -163.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.6 -44.64 77.18 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.007 0.923 . . . . 60.02 110.567 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.5 t -61.84 -37.37 84.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.134 -0.939 . . . . 74.23 112.066 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.73 -34.27 71.17 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.0 0.813 . . . . 71.24 110.948 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 159' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' B' ' 154' ' ' ARG . 91.2 m-85 -92.6 -9.63 40.37 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.371 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.87 50.3 7.02 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.828 0.851 . . . . 71.35 110.648 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 161' ' ' ILE . . . . . 0.434 HG23 ' OG ' ' B' ' 165' ' ' SER . 1.7 mp -62.2 120.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.971 -0.751 . . . . 75.43 108.971 167.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -101.67 173.1 6.57 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.376 0.608 . . . . 71.22 109.803 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 163' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 164' ' ' GLU . 16.6 ptmt -62.72 139.07 58.65 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.818 -0.628 . . . . 63.25 109.399 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 164' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' B' ' 163' ' ' LYS . 7.1 pt-20 64.54 15.09 9.4 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.098 1.759 . . . . 63.01 112.745 -176.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 165' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 98.5 p -61.46 121.49 12.82 Favored 'General case' 0 C--N 1.368 1.387 0 CA-C-N 117.862 0.301 . . . . 74.12 110.38 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.56 126.89 35.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.343 0.657 . . . . 63.1 111.204 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 167' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' B' ' 145' ' ' PHE . 0.4 OUTLIER -122.45 131.14 53.72 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.896 -1.52 . . . . 72.34 106.896 175.645 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 168' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' C' ' 767' ' ' SER . 16.7 tt -94.1 116.61 35.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 122.184 0.992 . . . . 61.55 109.852 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 169' ' ' LEU . . . . . 0.438 HD11 HE21 ' B' ' 141' ' ' GLN . 44.2 tp -80.51 108.64 14.31 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.789 -1.551 . . . . 73.04 110.096 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.39 158.16 15.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.948 1.299 . . . . 73.1 109.209 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.28 174.46 8.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.492 0.717 . . . . 75.5 110.706 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.245 0 C-N-CA 125.043 1.337 . . . . 63.34 113.251 167.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.74 0.644 . . . . 74.44 112.74 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.8 -47.25 77.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.996 0.918 . . . . 54.44 112.105 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.74 -44.46 81.71 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.024 0.827 . . . . 73.11 111.497 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -69.32 -49.62 54.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.641 1.176 . . . . 74.21 109.865 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.95 -45.59 94.12 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.27 -1.332 . . . . 50.33 111.692 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.43 -27.65 59.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.098 -0.501 . . . . 60.14 109.706 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.85 -40.41 95.11 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.708 0.63 . . . . 62.51 110.043 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.92 -38.48 86.29 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.442 0.697 . . . . 70.23 110.683 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.08 -35.31 80.18 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.058 0.943 . . . . 74.3 108.876 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.5 -47.15 76.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.159 0.984 . . . . 45.25 109.725 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 754' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 44.3 m-85 -57.58 -35.21 70.08 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 109.559 -0.534 . . . . 71.53 109.559 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 755' ' ' TRP . . . . . 0.481 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 25.6 t-105 -72.98 -37.18 67.13 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.83 -0.623 . . . . 75.5 111.054 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.0 m -59.91 -39.39 85.27 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.496 -0.557 . . . . 43.53 109.496 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -65.63 0.62 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.841 -1.072 . . . . 74.33 110.917 171.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 758' ' ' ILE . . . . . 0.534 HD11 HD21 ' C' ' 777' ' ' LEU . 59.7 mt -60.18 -30.51 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 123.83 0.852 . . . . 70.55 111.915 -172.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -77.19 -48.32 17.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.731 0.412 . . . . 73.22 110.305 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 760' ' ' ALA . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -75.41 -17.73 60.11 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.886 0.474 . . . . 74.23 111.318 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 761' ' ' MET . . . . . 0.402 ' HE2' ' HZ2' ' A' ' 10' ' ' TRP . 20.4 ttt -74.12 -58.76 3.08 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.858 1.263 . . . . 75.34 109.93 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.76 -12.59 60.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.139 0.976 . . . . 61.31 112.323 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 -24.91 63.86 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.888 0.375 . . . . 54.4 110.93 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 764' ' ' ASN . . . . . 0.528 ' HB2' HD11 ' A' ' 71' ' ' LEU . 18.4 t-20 -119.16 -53.5 2.25 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.643 1.177 . . . . 73.21 110.1 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 6.3 tp -82.49 58.13 4.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.753 1.221 . . . . 75.02 108.659 -172.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.87 76.06 6.56 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.46 -1.245 . . . . 53.44 112.638 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 767' ' ' SER . . . . . 0.504 ' HB2' HD13 ' B' ' 168' ' ' ILE . 22.6 m 155.23 123.4 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 127.414 2.285 . . . . 72.23 109.772 162.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.85 155.85 30.41 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.715 0.806 . . . . 73.32 111.723 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 769' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 45.9 t -59.52 148.85 31.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.138 0.575 . . . . 25.12 110.395 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.74 -34.57 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 108.375 -0.972 . . . . 74.24 108.375 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.75 -47.45 82.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.427 0.691 . . . . 73.34 111.306 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 772' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 75.9 mtt85 -59.75 -54.69 43.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.278 0.631 . . . . 73.02 111.248 -178.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 773' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 769' ' ' SER . 0.0 OUTLIER -63.61 -35.95 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.104 0.561 . . . . 74.11 110.715 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 774' ' ' TYR . . . . . 0.614 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 52.2 t80 -59.25 -48.36 81.91 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.297 0.639 . . . . 72.45 110.532 173.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.13 -38.61 89.61 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.9 0.88 . . . . 75.31 110.657 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 84.6 mmm -60.88 -54.18 48.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.271 -0.877 . . . . 62.12 110.626 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 777' ' ' LEU . . . . . 0.534 HD21 HD11 ' C' ' 758' ' ' ILE . 9.2 mp -60.15 -29.86 68.93 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.756 0.822 . . . . 52.42 112.224 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 778' ' ' ARG . . . . . 0.46 ' HD2' HG22 ' C' ' 790' ' ' ILE . 9.2 mmm180 -66.57 -46.51 75.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.588 -0.523 . . . . 73.31 109.588 175.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -50.08 65.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.512 0.725 . . . . 72.44 109.9 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 780' ' ' PHE . . . . . 0.514 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 15.9 m-85 -66.0 -34.46 78.15 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.762 -0.653 . . . . 72.23 111.721 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 781' ' ' VAL . . . . . 0.606 HG11 ' H ' ' C' ' 790' ' ' ILE . 5.3 p -75.9 -37.11 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 111.724 0.268 . . . . 44.25 111.724 -178.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.9 m -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.021 0.378 . . . . 53.32 112.021 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 9.0 p -65.94 -19.4 65.85 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 111.954 0.353 . . . . 62.0 111.954 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.72 15.61 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 110.888 -0.885 . . . . 55.54 110.888 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.44 -41.31 50.17 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 121.855 1.704 . . . . 73.41 111.299 167.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 34.81 -92.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 126.713 2.005 . . . . 42.15 115.37 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.95 17.24 4.18 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.648 1.179 . . . . 71.21 109.593 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.95 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 126.227 1.811 . . . . 72.52 110.414 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.01 111.37 3.92 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.369 -1.345 . . . . 75.31 107.369 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 790' ' ' ILE . . . . . 0.606 ' H ' HG11 ' C' ' 781' ' ' VAL . 12.8 tt -72.21 131.86 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.631 0.772 . . . . 75.2 109.133 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -116.33 164.09 15.04 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.783 -0.644 . . . . 64.04 110.725 -169.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.2 -31.52 70.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.067 0.947 . . . . 74.14 112.326 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.16 -57.74 9.98 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.116 0.96 . . . . 55.13 109.724 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.3 -33.46 67.41 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 113.088 -1.869 . . . . 73.13 110.514 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 795' ' ' LEU . . . . . 0.614 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -67.65 -59.43 3.34 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.782 0.833 . . . . 62.31 109.894 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -66.13 -26.88 67.65 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.846 -0.616 . . . . 72.14 110.302 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.24 81.16 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 123.933 0.771 . . . . 32.22 112.36 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 798' ' ' TYR . . . . . 0.481 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 4.4 t80 -66.14 -51.92 53.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.524 0.73 . . . . 71.21 109.385 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.65 -36.41 84.16 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.445 -0.798 . . . . 75.44 111.175 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.02 -50.48 72.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.404 0.682 . . . . 74.1 109.95 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 801' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' C' ' 805' ' ' ASP . 17.1 tptm -57.63 -54.83 42.42 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.382 1.051 . . . . 75.23 110.426 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 802' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' C' ' 808' ' ' LEU . 72.7 mmtt -58.74 -35.68 73.11 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 113.025 0.75 . . . . 73.33 113.025 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.52 -43.93 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.128 0.571 . . . . 64.54 110.287 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -77.13 -8.6 57.78 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.141 0.576 . . . . 74.2 111.814 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 805' ' ' ASP . . . . . 0.453 ' HB2' ' HE2' ' C' ' 801' ' ' LYS . 34.3 t70 -99.11 -8.96 24.45 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.514 1.125 . . . . 62.4 111.377 173.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.62 19.83 11.95 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 125.076 1.35 . . . . 63.35 111.889 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -87.47 -17.83 31.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.466 1.106 . . . . 64.13 110.556 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 808' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' C' ' 815' ' ' TYR . 1.0 OUTLIER -120.94 146.23 46.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.106 0.962 . . . . 73.11 109.853 174.47 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.6 t -105.83 134.3 47.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 125.236 1.415 . . . . 64.21 108.825 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.44 106.69 18.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.713 -1.217 . . . . 75.13 107.713 171.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 811' ' ' SER . . . . . 0.594 ' HB2' HG23 ' C' ' 814' ' ' VAL . 74.0 m -85.94 -145.54 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 N-CA-C 109.046 -0.724 . . . . 73.22 109.046 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.31 75.46 0.73 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.596 0.635 . . . . 70.01 110.876 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.92 19.67 78.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 116.481 -0.327 . . . . 54.32 113.557 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 814' ' ' VAL . . . . . 0.594 HG23 ' HB2' ' C' ' 811' ' ' SER . 18.2 m -134.49 154.8 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.878 0.871 . . . . 70.13 110.551 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 815' ' ' TYR . . . . . 0.423 ' HB3' HD12 ' C' ' 808' ' ' LEU . 24.4 m-85 -104.32 146.87 28.19 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.544 0.738 . . . . 72.42 110.429 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -159.53 157.56 30.18 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.327 1.017 . . . . 72.31 111.138 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 1.3 mp -81.66 125.75 77.47 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 122.481 0.312 . . . . 64.53 111.552 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 C--N 1.378 2.094 0 C-N-CA 122.714 2.276 . . . . 75.21 112.294 172.628 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 110.76 -0.936 . . . . 45.03 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 148.15 48.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.008 0.433 . . . . 74.4 110.112 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.624 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 16.6 mp0 -91.62 161.21 15.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 73.22 110.095 -174.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -138.98 146.61 25.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-O 121.473 0.654 . . . . 73.22 109.323 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 16.0 m-30 -100.95 116.79 33.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.659 -1.237 . . . . 74.32 107.659 172.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.66 ' HB ' HD11 ' B' ' 169' ' ' LEU . 17.3 m -107.14 102.49 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 122.106 0.955 . . . . 72.22 109.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' HB2' HG22 ' B' ' 168' ' ' ILE . 2.4 m-20 -78.12 102.34 7.46 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.377 -1.283 . . . . 74.35 110.033 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 t -89.14 110.41 21.15 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.726 -0.842 . . . . 50.54 108.726 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.7 43.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 115.199 -0.91 . . . . 72.52 109.826 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HB3' ' HZ3' ' A' ' 11' ' ' LYS . 48.4 mt-30 -118.84 84.15 2.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.418 -0.956 . . . . 63.34 108.418 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HB2' HD11 ' C' ' 765' ' ' LEU . 32.0 t-105 -99.0 103.29 15.23 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 106.383 -1.71 . . . . 62.31 106.383 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' B' ' 171' ' ' LEU . 26.5 pttm -160.54 155.4 24.2 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.248 0.342 . . . . 74.45 111.435 -173.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.43 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 5.5 m -99.4 137.4 37.95 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.803 -0.635 . . . . 74.2 110.242 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.22 158.19 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 107.644 -1.243 . . . . 74.12 107.644 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.0 m -125.55 132.39 52.58 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.658 0.663 . . . . 71.02 109.944 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -136.93 170.93 15.28 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.004 1.322 . . . . 72.25 108.341 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 32.5 tt0 -113.4 159.53 19.36 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.358 -0.608 . . . . 74.23 109.358 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.39 163.42 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.431 0.692 . . . . 73.14 110.798 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -108.87 153.8 42.2 Favored Pre-proline 0 N--CA 1.484 1.251 0 C-N-CA 123.659 0.784 . . . . 75.42 109.783 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.39 -30.57 36.33 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.038 2.492 . . . . 51.25 113.182 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -84.84 -10.17 57.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.071 0.948 . . . . 63.11 111.812 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.87 153.93 41.57 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.336 -0.616 . . . . 74.13 109.336 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.28 163.81 20.47 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.222 0.609 . . . . 72.32 110.411 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.6 mm -67.18 -32.97 60.04 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-N 115.015 -0.993 . . . . 60.44 110.699 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -32.79 63.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.769 -1.105 . . . . 74.31 110.327 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.52 -39.0 77.79 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.003 0.921 . . . . 65.53 110.783 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 47.4 t -65.39 -51.16 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.48 0.712 . . . . 64.13 109.881 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 38' ' ' PRO . 45.8 pttt -67.49 -33.7 75.63 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.535 -0.757 . . . . 72.21 110.441 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.09 78.09 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.012 0.525 . . . . 62.15 111.931 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 18.9 ptmt -79.99 -32.83 39.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.506 0.322 . . . . 73.33 110.958 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 36' ' ' ILE . 26.4 pt -72.38 -33.1 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.899 -0.408 . . . . 74.31 109.899 172.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -63.17 -42.76 99.44 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.979 0.512 . . . . 75.2 111.338 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.95 -50.86 53.41 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.79 0.836 . . . . 73.24 110.9 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -78.58 -62.19 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.115 -0.948 . . . . 74.53 111.039 -175.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.14 -13.73 32.45 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.244 0.461 . . . . 61.15 112.244 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.89 31.76 52.22 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 112.119 -0.392 . . . . 72.01 112.119 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 30' ' ' ILE . 96.5 mt -84.42 108.23 13.85 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.143 0.977 . . . . 74.41 109.509 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 73.9 Cg_endo -74.21 115.09 4.2 Favored 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 121.876 1.717 . . . . 73.35 110.537 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 25.4 Cg_endo -60.17 -44.01 31.75 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.691 2.927 . . . . 63.21 115.209 -165.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -85.84 -27.6 24.99 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.85 -0.614 . . . . 65.54 111.154 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . 8.1 mm-40 -75.38 -28.66 59.59 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.21 1.004 . . . . 62.33 110.878 174.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -125.78 93.66 3.9 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.115 -1.069 . . . . 74.44 108.115 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 42' ' ' ARG . 11.4 ptm180 -76.39 128.84 35.64 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.366 1.466 . . . . 74.23 111.059 -171.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.659 ' HB3' HD11 ' A' ' 67' ' ' LEU . 12.6 mt -97.01 139.47 32.97 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.883 0.873 . . . . 73.51 110.531 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 49' ' ' GLN . 75.1 mt -132.66 118.96 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 109.236 -0.653 . . . . 74.15 109.236 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.692 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.5 t80 -108.11 118.59 37.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.41 108.855 -171.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.81 17.1 4.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.04 0.936 . . . . 52.04 112.694 174.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.65 26.1 14.01 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 114.27 0.468 . . . . 61.51 114.27 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -141.04 137.61 33.06 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 117.23 0.515 . . . . 72.12 111.286 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 44' ' ' ILE . 76.6 mt-30 -75.1 139.8 43.02 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.878 0.871 . . . . 65.34 110.129 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.879 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.7 mm? -92.75 123.96 36.4 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.991 0.916 . . . . 41.12 111.514 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.65 128.39 38.49 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.079 0.952 . . . . 74.2 110.21 169.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.06 -41.7 60.08 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.565 1.546 . . . . 74.34 113.018 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.66 -12.14 66.73 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 114.518 -1.219 . . . . 75.34 114.532 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.4 163.57 14.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 75.22 109.65 -175.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.2 p -95.78 173.93 7.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.75 0.42 . . . . 72.35 110.278 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.43 -42.92 91.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.292 -0.633 . . . . 61.02 109.292 173.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.4 t -65.53 -25.77 67.59 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 53.12 111.905 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.52 -38.55 69.37 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.829 0.852 . . . . 65.15 111.145 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 3.5 m-85 -99.05 -6.12 29.08 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.661 0.784 . . . . 74.23 109.692 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.65 63.48 1.67 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.729 1.212 . . . . 75.12 110.654 -172.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.8 mp -67.75 99.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 108.636 -0.875 . . . . 72.35 108.636 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.0 -172.89 3.3 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.276 -0.875 . . . . 61.14 109.132 170.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.7 ttpp -93.38 150.56 20.37 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.8 -0.563 . . . . 73.55 110.968 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 61.94 21.19 12.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.885 1.674 . . . . 71.3 111.855 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -71.38 151.34 44.18 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.19 0.596 . . . . 50.21 111.417 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.38 132.06 54.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.412 0.625 . . . . 71.32 111.533 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' ' 43' ' ' LEU . 59.2 tp -113.3 135.93 53.31 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.583 1.553 . . . . 75.2 107.706 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.5 tp -98.39 137.46 25.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 109.123 -0.695 . . . . 53.44 109.123 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 HG22 ' B' ' 107' ' ' THR . 11.2 mp -107.48 111.0 23.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.378 -0.828 . . . . 72.42 109.11 174.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 mt -101.61 125.85 48.33 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.237 -1.023 . . . . 71.5 108.237 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' HG ' HG13 ' B' ' 108' ' ' VAL . 48.7 mt -70.9 169.3 15.06 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 119.008 0.822 . . . . 70.41 111.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -38.42 110.33 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.206 1.402 . . . . 72.12 113.063 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' C' ' 760' ' ' ALA . 31.4 tp -103.07 -65.04 1.02 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.018 0.927 . . . . 74.33 109.211 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.256 1.42 0 CA-C-N 114.515 -1.221 . . . . 63.24 107.97 -172.433 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 CA-C-O 120.261 -0.188 . . . . 62.3 113.072 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.522 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -102.71 145.48 29.63 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.906 0.482 . . . . 62.41 109.777 -175.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 12.5 mp0 -104.81 128.64 53.04 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.049 -0.723 . . . . 75.42 109.049 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.1 pt -119.22 167.35 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.08 0.552 . . . . 73.54 110.935 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.0 m-85 -116.06 125.56 52.59 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.124 0.97 . . . . 73.51 108.59 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.557 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -111.64 115.18 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.584 0.629 . . . . 73.33 109.46 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 68' ' ' ILE . 8.5 t70 -90.3 103.67 16.32 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.214 -0.662 . . . . 61.11 109.214 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.712 HG22 HD22 ' A' ' 69' ' ' LEU . 61.1 p -92.62 135.97 33.63 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 125.138 1.375 . . . . 75.13 112.639 -171.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 71' ' ' LEU . 2.4 p -112.34 124.56 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.352 1.061 . . . . 41.31 109.238 163.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -138.3 101.5 4.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.973 0.909 . . . . 75.33 109.0 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -106.91 134.64 49.75 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.852 0.861 . . . . 70.45 109.057 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -144.26 138.8 28.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.223 1.009 . . . . 73.11 109.392 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -101.77 118.98 38.04 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.542 0.737 . . . . 73.23 109.238 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 20.3 mt -94.43 158.57 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 108.606 -0.887 . . . . 73.01 108.606 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.7 m -131.28 122.27 26.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.16 -0.682 . . . . 71.01 109.16 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.97 170.33 14.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.42 -0.955 . . . . 64.31 108.42 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 40.1 tt0 -117.92 144.73 45.22 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.738 -0.838 . . . . 74.12 108.738 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.2 167.1 20.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 123.361 0.665 . . . . 74.54 109.333 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -106.63 150.8 40.07 Favored Pre-proline 0 N--CA 1.47 0.569 0 N-CA-C 109.308 -0.627 . . . . 71.24 109.308 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -66.13 -28.4 48.68 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.467 2.111 . . . . 71.44 111.462 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.9 m -80.96 -15.29 56.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.184 -0.916 . . . . 75.35 112.073 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.0 159.73 27.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.931 0.396 . . . . 75.12 110.881 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -85.21 163.15 18.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.386 -0.824 . . . . 73.24 110.527 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 45.8 mm -68.43 -28.56 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.397 -0.82 . . . . 71.01 110.587 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.42 66.01 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.134 0.574 . . . . 71.32 111.696 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.4 t-20 -64.6 -54.75 27.03 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.651 0.781 . . . . 45.2 109.377 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.01 -40.33 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.737 0.815 . . . . 73.4 110.59 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' B' ' 138' ' ' PRO . 20.4 ttmt -54.53 -55.09 32.81 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.686 -1.143 . . . . 73.54 110.495 174.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.21 71.09 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.357 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 29.1 mmtp -65.59 -57.87 7.12 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.981 -0.533 . . . . 64.13 110.904 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.6 pt -60.37 -35.35 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 CA-C-O 121.268 0.556 . . . . 72.34 111.132 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 8.8 tt0 -72.3 -28.51 63.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.696 1.199 . . . . 63.0 111.559 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.79 -48.94 12.75 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.804 0.442 . . . . 63.43 110.322 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 75.1 mmtt -60.29 -61.51 2.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.159 -0.928 . . . . 72.41 111.514 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' B' ' 136' ' ' ILE . 29.7 mt-10 -117.45 6.88 12.63 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.079 0.399 . . . . 73.32 112.079 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 67.55 25.97 73.77 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-O 119.467 -0.629 . . . . 42.33 112.523 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.476 HD12 ' HB ' ' B' ' 130' ' ' ILE . 55.5 mt -68.29 106.34 1.31 Allowed Pre-proline 0 C--N 1.361 1.069 0 N-CA-C 108.843 -0.799 . . . . 71.3 108.843 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 136' ' ' ILE . 1.1 Cg_endo -82.19 121.81 3.59 Favored 'Trans proline' 0 C--N 1.368 1.572 0 C-N-CA 122.418 2.079 . . . . 70.14 110.146 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.434 ' HB3' ' HG3' ' B' ' 127' ' ' LYS . 34.5 Cg_endo -59.22 -39.37 79.12 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.809 2.339 . . . . 73.34 112.448 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.85 -29.49 69.41 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.453 -1.249 . . . . 74.44 111.415 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -95.19 -20.56 19.13 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.671 0.789 . . . . 72.14 110.81 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -153.21 97.57 2.18 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.934 -0.765 . . . . 75.23 108.934 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.36 144.17 28.2 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.14 0.576 . . . . 74.3 110.278 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' B' ' 169' ' ' LEU . 3.2 mp -83.48 146.58 28.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.777 0.431 . . . . 74.25 110.262 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -125.02 144.31 50.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.883 0.873 . . . . 63.21 109.599 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' B' ' 150' ' ' LEU . 11.3 t80 -141.46 104.51 4.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.663 1.185 . . . . 54.5 108.561 -176.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 55.81 27.63 11.17 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.365 1.066 . . . . 60.32 112.052 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.38 17.66 45.22 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 116.422 -0.354 . . . . 60.1 113.484 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -133.27 133.68 42.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.215 0.606 . . . . 73.32 110.832 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.85 135.18 38.87 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.413 0.685 . . . . 71.35 109.388 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.2 mm? -81.02 105.57 12.34 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.423 -0.954 . . . . 75.22 108.423 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.681 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 32.9 mt-10 -75.68 128.06 34.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.835 -1.172 . . . . 74.15 107.835 174.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.8 p-10 -65.29 -25.34 67.59 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.817 0.673 . . . . 75.2 112.817 -169.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -73.62 -10.58 79.86 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.35 -0.841 . . . . 51.31 113.933 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.681 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 21.8 mmm180 -85.74 177.81 7.55 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.366 0.583 . . . . 72.12 109.94 -177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' B' ' 158' ' ' ASP . 26.1 m -110.97 158.1 19.16 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.728 0.811 . . . . 73.21 109.375 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.409 HD22 HD13 ' B' ' 123' ' ' ILE . 4.0 mm? -63.3 -46.47 86.57 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.959 0.409 . . . . 60.21 110.186 176.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.5 t -64.24 -27.61 69.17 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.083 -0.508 . . . . 75.55 111.822 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' B' ' 155' ' ' THR . 15.6 t70 -58.58 -31.86 68.42 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.602 0.761 . . . . 65.53 111.36 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.4 ' HE2' ' HB2' ' B' ' 154' ' ' ARG . 89.0 m-85 -96.79 -6.92 35.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.131 0.572 . . . . 65.23 111.396 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.68 57.06 5.02 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.046 0.939 . . . . 72.52 109.353 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 6.2 mm -70.41 126.6 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.576 -1.193 . . . . 73.44 110.083 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -94.81 158.27 15.57 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 121.32 0.581 . . . . 73.1 110.519 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.48 136.29 56.91 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 116.019 -0.537 . . . . 72.11 109.625 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 67.88 19.85 9.41 Favored 'General case' 0 CA--C 1.553 1.088 0 O-C-N 124.884 1.365 . . . . 72.15 111.572 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 13.7 t -60.69 129.02 39.45 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 123.179 0.592 . . . . 64.44 111.79 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.95 41.73 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.106 0.563 . . . . 61.43 111.497 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.32 128.77 38.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.534 1.134 . . . . 74.13 108.159 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.417 HG22 ' HB2' ' A' ' 6' ' ' ASP . 29.5 pt -101.39 119.04 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-O 121.517 0.675 . . . . 64.11 110.326 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.66 HD11 ' HB ' ' A' ' 5' ' ' VAL . 5.7 mp -77.07 112.6 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.967 0.507 . . . . 72.03 110.221 176.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.3 156.97 16.1 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.56 -0.904 . . . . 72.53 108.56 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 11' ' ' LYS . 6.8 mp -67.53 163.33 21.35 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.759 -0.46 . . . . 73.12 109.759 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 8.6 t -44.42 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 113.849 1.055 . . . . 72.35 113.849 -172.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.65 72.42 1.08 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.098 -0.955 . . . . 73.12 108.438 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--O 1.256 1.431 0 C-N-CA 125.908 1.683 . . . . 64.21 113.706 167.669 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 112.123 -0.391 . . . . 63.12 112.123 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 46.7 t -133.83 131.68 39.52 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.493 -0.928 . . . . 62.14 108.493 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -143.73 -45.49 0.27 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.55 0.74 . . . . 72.04 111.822 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 52.5 p -79.36 -6.47 56.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.277 0.631 . . . . 73.01 112.373 -172.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -83.82 80.48 9.13 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.598 0.713 . . . . 74.34 110.284 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 35.0 m -150.96 -36.02 0.14 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.835 1.254 . . . . 73.13 108.996 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 88.03 -171.51 40.86 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.303 -0.862 . . . . 70.04 112.427 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 26.3 mtp -138.18 106.49 5.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.257 0.623 . . . . 61.03 110.025 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -130.4 -16.1 3.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.295 1.038 . . . . 73.2 111.234 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 62.54 23.36 13.88 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.751 1.62 . . . . 74.14 113.071 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -173.85 -61.5 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.441 0.696 . . . . 63.03 109.95 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.12 62.51 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.023 -0.99 . . . . 72.43 112.61 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.32 -60.0 4.01 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.033 0.833 . . . . 43.33 110.693 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 11.5 pt20 -55.39 -45.3 76.61 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 124.346 1.029 . . . . 74.42 110.162 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 43.3 mtpt -61.47 -56.23 22.39 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 124.264 0.977 . . . . 64.11 111.049 -172.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.11 -45.63 68.37 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.411 1.069 . . . . 64.4 110.857 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.91 -30.77 68.27 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.092 0.87 . . . . 64.23 111.626 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 750' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' C' ' 786' ' ' ALA . 72.8 mt-10 -69.59 -46.73 65.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.957 0.903 . . . . 74.34 109.046 177.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 17.0 mt -69.83 -33.39 72.24 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.033 0.833 . . . . 63.25 110.38 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.43 -37.34 74.38 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.472 -0.936 . . . . 74.2 108.472 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.73 -44.37 97.04 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.806 0.691 . . . . 70.25 110.351 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.602 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 20.9 m-85 -61.35 -37.56 83.77 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 74.53 110.628 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.514 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 36.7 t-105 -75.42 -25.83 57.85 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 114.743 -1.117 . . . . 63.34 110.563 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 90.8 m -68.03 -36.32 79.73 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.073 -0.714 . . . . 44.23 109.073 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.602 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 47.1 m-85 -62.13 -66.33 0.55 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 123.582 0.552 . . . . 73.34 109.781 171.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.439 HD11 HD11 ' C' ' 777' ' ' LEU . 37.8 mt -66.18 -33.67 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 O-C-N 124.173 0.921 . . . . 34.31 112.147 -166.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.01 -58.65 5.04 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.244 -0.65 . . . . 74.13 109.244 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 73' ' ' LEU . . . -64.37 -27.81 69.27 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.672 0.789 . . . . 74.4 112.049 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.468 ' SD ' HG22 ' C' ' 773' ' ' ILE . 26.1 ttt -66.8 -58.85 4.23 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 114.37 -1.286 . . . . 72.34 108.207 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 3.5 mm? -71.41 -14.72 62.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 113.551 0.945 . . . . 54.13 113.551 -178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 69.2 m -61.51 -25.75 67.47 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.509 0.723 . . . . 71.24 111.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -130.05 -46.67 1.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.56 0.744 . . . . 71.43 109.798 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.565 HD23 HD23 ' C' ' 768' ' ' LEU . 8.4 tp -87.63 57.77 4.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.58 1.552 . . . . 51.23 108.454 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.82 59.08 3.02 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.329 1.051 . . . . 55.21 113.469 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 16.0 m 173.9 105.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.937 1.695 . . . . 74.11 108.665 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.595 HD11 HD21 ' C' ' 762' ' ' LEU . 1.7 pp -163.86 143.94 8.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.854 0.462 . . . . 54.32 111.252 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.4 m -65.47 152.69 43.36 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 123.115 0.566 . . . . 50.05 110.472 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.75 -39.25 65.18 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.863 0.727 . . . . 70.23 109.126 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.31 -30.66 68.51 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.628 0.771 . . . . 73.14 112.833 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -69.63 -57.31 5.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.578 0.351 . . . . 62.23 110.335 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.468 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.7 pp -67.86 -24.15 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.779 -0.646 . . . . 70.13 111.053 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' C' ' 795' ' ' LEU . 21.5 t80 -66.21 -49.13 68.34 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.986 -0.746 . . . . 73.52 108.986 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.81 -40.5 92.94 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.156 0.91 . . . . 71.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -52.7 43.04 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.727 0.642 . . . . 74.42 111.452 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.543 ' HB2' HD11 ' C' ' 795' ' ' LEU . 8.4 mt -57.84 -40.12 79.31 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 123.019 0.199 . . . . 72.51 110.495 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.454 ' HA ' HG12 ' C' ' 781' ' ' VAL . 38.5 ttt-85 -69.96 -36.68 75.42 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.95 0.781 . . . . 74.34 111.093 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.5 -55.85 27.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.338 0.655 . . . . 70.15 109.583 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -78.06 -9.29 59.07 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.889 -0.596 . . . . 70.41 112.487 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 790' ' ' ILE . 0.5 OUTLIER -87.57 -36.25 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 110.196 -0.298 . . . . 72.41 110.196 173.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.71 -31.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 119.688 -0.196 . . . . 72.4 111.373 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 15.0 p -63.41 -29.1 70.45 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.898 0.38 . . . . 74.22 111.829 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -120.76 -172.85 14.69 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.5 -0.773 . . . . 74.1 111.831 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -85.04 15.05 2.3 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.194 2.596 . . . . 62.1 113.275 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.453 ' O ' HG22 ' C' ' 781' ' ' VAL . . . -49.96 106.08 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.47 1.108 . . . . 71.44 112.219 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 787' ' ' LEU . . . . . 0.472 HD22 HG22 ' C' ' 790' ' ' ILE . 5.7 mp 55.3 13.64 0.92 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.356 1.462 . . . . 43.34 113.831 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.47 36.98 28.23 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.642 0.777 . . . . 72.53 111.11 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 75.46 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.551 1.94 . . . . 74.13 111.481 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.521 HG12 HG11 ' C' ' 781' ' ' VAL . 6.0 pt -71.51 -171.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.062 1.345 . . . . 74.15 111.884 175.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -139.33 172.07 13.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.346 1.058 . . . . 73.33 109.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -61.12 2.17 Favored 'General case' 0 C--O 1.206 -1.213 0 C-N-CA 125.037 1.335 . . . . 62.15 110.464 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -56.05 -32.91 64.48 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.934 0.771 . . . . 55.02 111.474 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.87 -52.27 26.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.627 0.771 . . . . 62.44 110.492 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' C' ' 777' ' ' LEU . 1.6 tt -74.21 -52.06 13.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 122.919 0.488 . . . . 63.34 110.168 -174.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -52.67 -47.05 67.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.855 0.862 . . . . 60.02 111.371 170.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.64 -27.68 71.36 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.775 0.672 . . . . 54.03 113.737 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 24.8 t80 -66.75 -50.99 60.95 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.595 0.758 . . . . 55.25 109.256 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.414 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.2 mm? -59.6 -44.67 93.31 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.986 0.804 . . . . 63.14 110.939 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 800' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 0.4 OUTLIER -56.24 -49.06 75.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.533 1.133 . . . . 73.51 110.261 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 801' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.79 -57.55 11.56 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.247 0.967 . . . . 73.21 108.815 175.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -47.56 -43.52 25.3 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.461 0.912 . . . . 64.52 113.461 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 799' ' ' LEU . 95.3 t -66.6 -43.98 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 121.433 0.635 . . . . 72.3 110.467 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 804' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 11.2 mpt_? -74.5 -13.09 60.64 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.312 -0.858 . . . . 73.24 112.157 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.54 -9.09 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.192 0.997 . . . . 71.24 110.42 171.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.74 19.24 10.75 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.109 1.364 . . . . 64.25 111.455 -175.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -5.45 56.94 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.828 1.251 . . . . 74.1 111.01 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.53 142.98 50.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.759 0.824 . . . . 71.13 108.812 169.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.4 t -105.64 123.51 60.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 C-N-CA 124.356 1.062 . . . . 74.12 108.201 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.5 107.78 19.57 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.348 -1.353 . . . . 65.22 107.348 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.633 ' HB3' HG13 ' C' ' 814' ' ' VAL . 22.8 t -80.7 -154.67 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 108.754 -0.832 . . . . 75.25 108.754 171.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.22 76.11 0.71 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.075 0.852 . . . . 73.23 111.56 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.84 77.8 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.678 -0.692 . . . . 52.22 112.537 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.7 p -144.65 135.02 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.899 -0.778 . . . . 75.24 108.899 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.82 148.73 22.01 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.4 0.68 . . . . 72.5 112.703 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' C' ' 762' ' ' LEU . 15.6 ptt180 -161.76 150.22 15.36 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.266 -1.334 . . . . 73.42 109.696 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 0.7 OUTLIER -74.65 141.92 76.65 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 111.677 0.251 . . . . 75.45 111.677 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -66.63 83.12 0.3 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.828 2.352 . . . . 52.1 110.478 166.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -13.4 61.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.658 -1.155 . . . . 64.45 110.86 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -118.68 141.66 48.4 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.218 1.407 . . . . 73.43 108.25 167.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.98 -41.67 59.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.13 0.572 . . . . 74.11 110.559 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 C--O 1.25 1.106 0 C-N-CA 123.785 0.834 . . . . 63.22 109.157 179.564 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.87 -0.492 . . . . 62.31 111.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -100.36 147.13 26.15 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.873 -0.788 . . . . 50.03 108.873 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 17.3 mp0 -92.76 160.31 15.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.997 -0.547 . . . . 52.43 110.351 -171.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 115' ' ' LEU . 13.9 pt -139.99 158.47 26.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 123.983 0.913 . . . . 51.13 108.682 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 22.0 m-85 -119.53 112.68 19.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.577 -1.268 . . . . 72.51 107.577 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.691 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 98.5 t -93.93 91.81 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.476 -1.305 . . . . 54.3 107.476 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.11 95.93 8.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.276 -0.875 . . . . 75.01 110.508 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -91.65 139.42 30.71 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.697 0.399 . . . . 72.31 110.036 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.421 ' HB ' ' HE3' ' B' ' 110' ' ' TRP . 7.7 p -129.72 118.65 45.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.91 -0.774 . . . . 74.23 108.91 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 89.7 mt-30 -103.23 81.99 2.01 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.319 -0.993 . . . . 73.13 108.319 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.605 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 70.3 t-105 -98.56 106.1 18.33 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 107.698 -1.223 . . . . 73.3 107.698 173.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -161.38 139.82 9.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 123.79 0.681 . . . . 72.24 109.711 -171.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 21.1 m -85.3 122.76 29.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.561 0.745 . . . . 74.24 109.678 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.69 151.24 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.577 -0.898 . . . . 74.42 108.577 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.438 HG22 ' CD1' ' B' ' 104' ' ' PHE . 20.7 p -107.82 134.63 50.49 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.844 0.458 . . . . 64.22 110.569 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD21 HG13 ' B' ' 105' ' ' VAL . 1.8 pt? -149.63 172.41 15.1 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.642 0.777 . . . . 74.31 109.319 173.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 30.9 tt0 -121.34 146.8 46.48 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.689 0.396 . . . . 43.01 110.122 171.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 12.1 m -130.78 173.74 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 124.575 1.15 . . . . 50.13 110.955 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.782 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 35.0 mm-40 -110.52 154.89 42.87 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.805 0.842 . . . . 53.4 109.034 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.34 -38.76 19.32 Favored 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 122.159 1.906 . . . . 64.34 112.385 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -89.3 -0.2 57.28 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.85 -0.614 . . . . 64.02 111.475 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.782 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 23.0 t70 -75.76 154.21 36.48 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.541 1.136 . . . . 70.3 107.935 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -91.26 164.68 13.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.989 0.9 . . . . 64.4 111.254 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.74 HG21 ' HB3' ' A' ' 50' ' ' LEU . 22.6 mm -74.52 -19.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 CA-C-N 114.746 -1.115 . . . . 64.32 109.616 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.81 -25.35 67.19 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.817 0.847 . . . . 70.44 110.605 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 28.8 m120 -69.18 -53.35 20.5 Favored 'General case' 0 C--O 1.205 -1.271 0 N-CA-C 108.532 -0.914 . . . . 72.53 108.532 173.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 17' ' ' VAL . 20.9 t -51.12 -42.27 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.842 0.857 . . . . 73.55 110.867 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.56 -53.91 52.61 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 125.519 1.528 . . . . 73.24 110.929 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.48 63.17 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.943 -1.026 . . . . 65.5 111.7 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 4.4 mptp? -72.69 -54.51 8.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.569 1.148 . . . . 74.54 109.243 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.668 ' HB ' HD12 ' A' ' 36' ' ' ILE . 25.9 pt -68.34 -25.95 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 123.254 0.346 . . . . 71.4 110.869 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.69 -49.61 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.036 0.534 . . . . 72.41 111.087 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.23 -43.07 99.47 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.967 0.889 . . . . 75.14 110.829 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 3.6 mmmp? -82.37 -73.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.763 -1.562 . . . . 64.41 110.926 -174.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.502 ' HB2' HG13 ' A' ' 36' ' ' ILE . 26.6 mm-40 -88.13 -9.57 52.77 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.874 0.47 . . . . 73.42 111.283 -167.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 28.35 54.84 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 116.309 -0.405 . . . . 74.31 113.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.668 HD12 ' HB ' ' A' ' 30' ' ' ILE . 54.6 mt -80.58 113.51 40.28 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.519 0.728 . . . . 72.45 110.053 -176.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 28.1 Cg_endo -62.12 119.4 6.49 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.926 2.417 . . . . 64.31 112.352 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -53.88 -44.97 44.48 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 124.085 3.19 . . . . 74.3 114.027 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.53 -33.66 74.2 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.457 -0.792 . . . . 72.22 111.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.51 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 21.6 mt-30 -110.71 18.98 19.1 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.741 0.816 . . . . 74.14 111.927 -169.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.484 HE21 HG22 ' A' ' 36' ' ' ILE . 2.4 pt20 -114.53 150.86 34.27 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.613 -0.514 . . . . 73.15 109.613 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 35.4 mtp85 -132.79 101.03 5.11 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.116 -1.439 . . . . 75.23 107.116 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 21.4 mt -85.56 121.09 27.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 109.334 -0.617 . . . . 64.25 109.334 -172.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mt -129.04 130.7 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 118.207 0.458 . . . . 73.42 111.165 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -111.51 99.94 8.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.941 1.296 . . . . 73.24 109.034 178.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.51 31.56 15.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 123.971 0.795 . . . . 72.24 112.546 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.99 17.06 33.54 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.239 0.855 . . . . 61.32 115.239 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -117.37 141.12 48.71 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.13 0.965 . . . . 73.34 111.271 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 120.67 28.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.902 0.881 . . . . 72.41 110.17 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.74 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -86.96 106.34 17.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.363 0.665 . . . . 74.51 110.623 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.6 118.26 9.26 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.683 -0.858 . . . . 53.31 108.683 162.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 10.2 p-10 -59.78 -33.88 72.29 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.14 0.576 . . . . 65.23 111.767 -175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.1 22.21 16.23 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-O 119.901 -0.388 . . . . 74.31 113.604 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 23' ' ' ILE . 59.3 ttt180 -115.33 171.12 7.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.096 -1.075 . . . . 70.34 108.096 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -100.39 159.24 15.29 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.431 1.014 . . . . 50.21 111.189 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 61' ' ' ILE . 3.7 mm? -61.15 -43.99 98.02 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.011 0.82 . . . . 71.13 109.684 175.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -67.51 -25.91 66.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.881 0.697 . . . . 75.31 112.881 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.75 -18.28 64.19 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.727 0.299 . . . . 72.41 110.436 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.24 -9.43 19.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.022 0.529 . . . . 64.31 111.843 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 59.47 64.49 1.33 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.239 1.016 . . . . 72.01 110.667 -172.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 HD12 ' A' ' 56' ' ' LEU . 1.7 mp -67.44 109.79 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.732 -0.84 . . . . 61.14 108.732 170.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -79.83 164.26 23.75 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.754 -0.832 . . . . 74.44 108.754 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -71.81 143.9 49.34 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 122.253 -0.279 . . . . 70.3 110.289 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.77 29.41 18.01 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.673 1.189 . . . . 74.53 111.907 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -80.72 143.41 32.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.15 0.58 . . . . 74.32 111.077 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.1 106.66 18.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.335 0.654 . . . . 42.15 111.647 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.7 tt -96.77 126.47 41.95 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 106.803 -1.554 . . . . 64.01 106.803 172.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 tt -99.2 131.46 46.43 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 CA-C-N 118.871 0.759 . . . . 73.54 109.623 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.627 HD12 ' HB ' ' B' ' 107' ' ' THR . 62.2 mt -99.73 107.7 19.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.633 -1.167 . . . . 72.14 108.914 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 5.2 mp -94.89 114.63 26.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.634 -1.247 . . . . 74.21 107.634 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.37 168.33 19.42 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 109.385 -0.598 . . . . 74.44 109.385 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -32.4 97.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.093 1.757 . . . . 71.22 113.581 -179.183 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.4 tp -91.87 -90.84 0.17 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.557 -1.275 . . . . 74.22 107.557 171.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.597 -1.26 . . . . 73.12 107.597 175.03 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 111.612 -0.595 . . . . 74.23 111.612 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.47 46.05 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.536 0.735 . . . . 64.31 109.768 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -84.91 164.18 18.52 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.415 -0.811 . . . . 73.44 110.517 -173.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -148.72 156.37 8.17 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 C-N-CA 123.997 0.919 . . . . 60.41 109.858 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.438 ' CD1' HG22 ' A' ' 14' ' ' THR . 18.4 m-30 -116.36 105.79 12.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.413 -1.267 . . . . 72.01 108.693 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 67' ' ' LEU . 27.1 m -99.8 107.99 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 121.877 0.846 . . . . 71.3 111.013 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 46.3 t0 -84.99 100.34 11.59 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.86 0.864 . . . . 61.24 109.917 -173.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.627 ' HB ' HD12 ' A' ' 69' ' ' LEU . 9.6 t -103.1 146.33 28.55 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.506 0.722 . . . . 74.22 112.266 -171.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.605 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.2 p -116.92 128.29 74.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.707 -0.679 . . . . 64.23 110.459 161.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -117.97 93.52 4.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.164 -0.925 . . . . 73.34 109.319 167.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' TRP . . . . . 0.421 ' HE3' ' HB ' ' A' ' 8' ' ' VAL . 40.3 t-105 -86.06 129.31 34.88 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.378 -0.971 . . . . 70.11 108.378 171.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -144.48 133.7 22.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.651 1.181 . . . . 54.21 108.774 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -97.97 116.19 29.68 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.579 0.751 . . . . 72.25 109.079 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.691 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 31.1 mt -91.61 154.63 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.96 -1.126 . . . . 52.01 107.96 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.0 p -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.542 -0.911 . . . . 60.01 108.542 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 3' ' ' ILE . 3.5 tt -139.87 148.01 41.46 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.477 -1.675 . . . . 63.31 106.477 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.5 tt0 -117.65 125.6 51.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.118 -1.067 . . . . 70.42 108.118 169.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.6 p -132.21 170.94 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 123.109 0.564 . . . . 72.21 109.622 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' B' ' 121' ' ' ASP . 41.6 mt-10 -120.18 147.34 44.58 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.449 0.7 . . . . 75.45 109.606 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.49 -36.41 97.61 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.107 2.538 . . . . 72.43 113.458 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.5 m -79.87 -10.3 59.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.952 -0.567 . . . . 75.41 112.401 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' B' ' 118' ' ' GLU . 3.8 m-20 -81.29 158.63 24.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.361 0.265 . . . . 75.03 110.467 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -87.65 171.54 10.38 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.154 0.982 . . . . 64.42 111.194 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 33.6 mm -78.26 -23.1 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.507 -0.77 . . . . 64.04 110.16 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.07 -25.57 65.49 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.705 0.802 . . . . 73.1 111.619 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 22.7 m120 -61.33 -56.58 18.87 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.824 0.703 . . . . 62.1 109.552 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.07 -42.19 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.976 0.91 . . . . 62.12 110.657 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -56.44 -53.08 61.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.339 1.056 . . . . 70.32 110.83 174.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.43 74.1 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.393 -0.821 . . . . 32.25 111.338 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.7 mmtp -75.98 -40.8 53.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.04 0.536 . . . . 73.42 111.56 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 31.6 pt -72.36 -29.58 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.157 0.435 . . . . 72.41 110.049 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -71.24 -38.45 71.96 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.326 0.65 . . . . 63.35 110.864 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.67 -52.15 19.35 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.516 -0.766 . . . . 51.54 110.585 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -81.03 -56.01 4.39 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.839 -1.073 . . . . 63.31 111.214 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.64 -11.2 29.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.852 0.461 . . . . 71.22 110.969 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.31 28.96 67.0 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 123.118 0.262 . . . . 72.34 113.181 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.466 HD13 HD21 ' B' ' 169' ' ' LEU . 78.9 mt -87.75 118.15 69.38 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.797 0.839 . . . . 61.03 110.493 -176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 27.2 Cg_exo -64.9 131.16 28.05 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.49 2.127 . . . . 64.13 111.414 172.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.1 Cg_endo -45.07 -43.72 15.65 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.265 3.31 . . . . 75.12 113.945 173.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.19 -33.01 74.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 114.4 -1.273 . . . . 72.52 111.617 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.769 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 66.0 mt-30 -91.88 -6.34 51.68 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.358 0.663 . . . . 72.03 112.317 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 136.42 33.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.62 1.168 . . . . 75.33 110.695 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 172' ' ' THR . 0.4 OUTLIER -134.05 87.24 2.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.041 0.936 . . . . 74.0 108.935 165.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 5' ' ' VAL . 10.1 mt -81.01 105.13 12.0 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.992 -0.549 . . . . 73.23 109.56 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.61 139.01 35.9 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.683 -0.858 . . . . 63.11 108.683 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.501 ' HB2' HD21 ' B' ' 150' ' ' LEU . 29.9 t80 -131.77 102.34 5.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.425 -0.954 . . . . 72.05 108.425 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 51.76 37.98 21.82 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.082 0.953 . . . . 64.22 111.976 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.28 -16.1 61.69 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-O 119.009 -0.884 . . . . 64.11 114.581 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.3 OUTLIER -107.18 121.99 45.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 118.649 1.225 . . . . 73.1 110.218 178.154 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -75.15 139.27 42.59 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.548 -0.538 . . . . 71.53 109.548 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.625 HD23 ' HB3' ' B' ' 143' ' ' LEU . 2.5 mm? -77.25 114.71 16.35 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.662 0.785 . . . . 65.14 109.116 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 2.7 tm-20 -84.5 130.39 34.76 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.69 -0.856 . . . . 75.51 108.69 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -43.45 -56.95 3.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.922 1.689 . . . . 61.4 113.826 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.04 16.05 53.22 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.016 -0.538 . . . . 42.03 114.092 -174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 6.8 mtt180 -105.88 164.2 12.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.213 1.005 . . . . 70.41 108.752 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 36.9 p -96.36 165.64 12.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.689 0.757 . . . . 74.12 111.53 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.12 -37.32 78.28 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.901 -1.499 . . . . 61.15 109.745 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.3 t -65.07 -37.53 87.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.49 0.716 . . . . 63.35 111.088 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.39 -27.72 68.73 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.94 0.775 . . . . 74.21 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -100.24 -2.98 32.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.611 0.764 . . . . 62.43 111.566 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.93 61.27 3.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.51 1.124 . . . . 72.23 110.23 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.0 116.63 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.125 -0.943 . . . . 73.0 109.543 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -86.16 156.06 20.5 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 121.283 0.564 . . . . 65.22 110.189 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 19.6 ptmt -60.66 139.69 57.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.739 -0.837 . . . . 65.03 108.739 170.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 164' ' ' GLU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 8.7 pt-20 59.7 23.21 12.04 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.065 1.746 . . . . 64.12 112.575 -175.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 60.6 p -58.38 141.25 51.91 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 111.586 0.217 . . . . 63.3 111.586 170.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.59 118.49 36.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.707 0.403 . . . . 51.2 109.937 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.509 HD23 HD21 ' B' ' 150' ' ' LEU . 0.5 OUTLIER -122.68 126.83 48.37 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.481 -1.674 . . . . 73.32 106.481 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 17.1 pt -91.23 132.8 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.778 -0.823 . . . . 65.34 108.778 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.603 HD13 ' HG ' ' B' ' 143' ' ' LEU . 37.4 tp -105.83 97.43 7.26 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.669 -1.234 . . . . 75.01 107.669 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 16.0 tp -94.93 155.44 16.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.171 -1.377 . . . . 54.33 108.82 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.67 156.27 39.22 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 108.056 -1.09 . . . . 73.54 108.056 171.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.769 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 12.5 t -48.08 89.94 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 122.569 1.176 . . . . 75.32 113.239 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.2 mp -158.07 -158.1 0.7 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.329 1.852 . . . . 71.32 107.482 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 108.397 -0.964 . . . . 54.43 108.397 169.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.205 0 N-CA-C 111.552 -0.619 . . . . 55.41 111.552 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 20.5 m -79.44 92.13 5.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.227 0.611 . . . . 74.01 110.621 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.1 -13.21 61.15 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.527 0.731 . . . . 71.31 111.341 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 15.2 t -70.54 1.07 5.59 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.043 0.937 . . . . 64.1 112.196 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.22 138.47 55.6 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.281 0.632 . . . . 74.41 110.165 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 62.0 m -145.88 28.2 1.15 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.56 0.744 . . . . 63.1 110.365 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -67.92 112.52 4.79 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 119.302 -0.721 . . . . 64.13 112.611 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 740' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 26.4 ptm -150.83 152.06 33.2 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 117.537 0.668 . . . . 40.15 112.124 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -170.44 18.6 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.865 1.266 . . . . 73.51 111.035 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 50.0 m 59.66 22.69 11.44 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.372 1.469 . . . . 52.25 112.732 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -168.8 -47.92 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.479 0.712 . . . . 74.42 110.537 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.93 78.75 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.065 -0.516 . . . . 61.03 111.044 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.527 ' HB3' ' HA ' ' C' ' 740' ' ' MET . 0.4 OUTLIER -49.74 -63.82 0.99 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.806 1.317 . . . . 73.15 112.061 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.508 ' HG3' ' HG3' ' C' ' 747' ' ' LYS . 8.4 pt20 -54.91 -50.05 69.73 Favored 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.685 1.241 . . . . 73.41 110.778 -173.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' C' ' 746' ' ' GLN . 93.4 mttt -63.33 -47.06 83.79 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.134 0.573 . . . . 63.33 111.13 -173.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -50.77 -56.06 13.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.49 1.119 . . . . 73.13 111.495 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 749' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.0 pt-20 -76.16 -32.1 58.89 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.819 -0.628 . . . . 71.13 111.233 -169.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.41 -52.39 47.09 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.533 -0.914 . . . . 73.44 108.533 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.39 -43.93 79.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 124.226 0.954 . . . . 65.54 110.425 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.32 -36.99 85.73 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.974 0.796 . . . . 71.52 110.589 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.82 -40.71 63.14 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.735 0.814 . . . . 72.32 110.339 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.527 ' O ' HG13 ' C' ' 758' ' ' ILE . 38.7 m-85 -59.21 -42.22 90.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.661 0.785 . . . . 64.23 109.342 171.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.478 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 18.1 t-105 -64.84 -38.37 90.75 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.397 -1.274 . . . . 72.25 110.647 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 68.5 m -61.03 -36.56 79.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.249 0.62 . . . . 61.43 110.186 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.52 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 39.7 m-85 -59.45 -57.69 11.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.822 -0.626 . . . . 71.44 110.808 169.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.53 HD11 HD21 ' C' ' 777' ' ' LEU . 10.2 mt -65.88 -24.0 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 123.917 0.761 . . . . 75.51 111.525 -172.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -66.56 -61.68 1.86 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.153 -0.684 . . . . 75.31 109.153 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.403 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -66.82 -25.07 66.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.085 0.554 . . . . 32.03 111.449 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.753 ' SD ' HD22 ' C' ' 765' ' ' LEU . 35.0 tpp -60.77 -59.19 5.78 Favored 'General case' 0 C--O 1.197 -1.691 0 C-N-CA 124.307 1.043 . . . . 75.1 109.168 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.66 HD22 ' HA ' ' C' ' 816' ' ' ARG . 95.5 mt -77.77 -13.18 59.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.353 0.661 . . . . 60.44 112.331 -175.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.4 m -73.48 -21.58 60.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.079 0.951 . . . . 52.11 111.285 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' B' ' 108' ' ' VAL . 50.2 m-80 -121.76 -51.18 2.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.814 0.446 . . . . 73.31 109.892 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.753 HD22 ' SD ' ' C' ' 761' ' ' MET . 10.4 mp -82.94 60.03 5.2 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.501 1.12 . . . . 62.3 109.744 171.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.91 84.47 2.84 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.036 -0.984 . . . . 64.42 109.168 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 69.8 m 127.22 105.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 128.389 2.676 . . . . 70.45 108.703 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.675 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 0.4 OUTLIER -156.83 158.36 36.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 64.02 109.955 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.9 t -70.02 158.06 36.35 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 120.535 0.207 . . . . 62.44 110.796 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.07 -37.67 80.58 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.703 0.801 . . . . 74.2 109.768 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.8 -32.24 67.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.204 0.602 . . . . 73.11 112.145 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 98.3 mtt180 -69.46 -52.15 29.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.937 0.495 . . . . 75.14 110.234 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.423 HD13 HD21 ' C' ' 799' ' ' LEU . 2.8 pp -71.59 -26.02 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 116.681 -0.236 . . . . 75.14 111.399 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.07 -52.08 65.34 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 108.747 -0.834 . . . . 75.35 108.747 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -55.34 -43.85 75.37 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.448 1.093 . . . . 73.53 111.975 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 89.7 mmm -58.82 -61.74 2.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.699 -0.682 . . . . 73.0 110.578 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.532 HD22 HD21 ' C' ' 795' ' ' LEU . 10.4 mp -57.54 -30.02 64.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 115.623 -0.717 . . . . 73.13 112.111 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' C' ' 778' ' ' ARG . 8.1 tpt180 -66.6 -43.41 84.92 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.989 0.805 . . . . 75.32 109.968 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.5 ttp -58.89 -51.38 70.26 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.996 -0.742 . . . . 71.0 108.996 173.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.92 -31.36 71.67 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.688 -0.687 . . . . 72.11 112.563 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.495 HG21 ' H ' ' C' ' 790' ' ' ILE . 1.1 p -84.65 -28.8 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 122.976 0.51 . . . . 62.14 111.057 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.53 -27.97 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.703 0.401 . . . . 74.23 111.813 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 16.9 p -65.22 -25.64 67.77 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.961 0.504 . . . . 72.55 112.107 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.99 -170.22 12.84 Favored Glycine 0 C--O 1.242 0.627 0 N-CA-C 111.407 -0.677 . . . . 74.03 111.407 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -83.04 10.14 3.78 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.349 2.699 . . . . 73.14 111.905 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.07 109.16 0.23 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.736 1.614 . . . . 74.51 112.485 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 46.6 mt 58.78 9.69 1.25 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.835 1.254 . . . . 60.14 113.656 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.36 41.36 31.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.279 1.032 . . . . 61.2 111.752 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 70.59 117.16 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.778 1.631 . . . . 74.42 111.679 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.495 ' H ' HG21 ' C' ' 781' ' ' VAL . 15.7 pt -65.9 164.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.04 0.936 . . . . 72.44 111.71 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -118.73 169.19 10.05 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.711 -1.131 . . . . 75.42 108.858 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.38 -40.62 95.01 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.988 0.915 . . . . 74.24 111.697 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.41 -38.76 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.737 0.415 . . . . 71.11 110.787 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.71 -45.29 71.98 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.89 0.876 . . . . 74.3 110.214 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.532 HD21 HD22 ' C' ' 777' ' ' LEU . 1.9 tm? -74.81 -48.6 24.42 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 114.589 -1.187 . . . . 65.23 110.076 -174.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.93 -44.63 87.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.045 0.938 . . . . 72.22 110.582 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.15 92.28 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.94 0.775 . . . . 61.14 113.35 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 13.1 t80 -62.09 -53.14 59.69 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.223 0.535 . . . . 74.45 110.67 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.3 mm? -58.77 -47.6 84.11 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.941 -1.027 . . . . 74.02 111.26 178.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -51.24 -48.44 62.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.191 1.396 . . . . 72.43 110.909 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -57.89 -53.69 55.32 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 124.282 0.989 . . . . 53.24 110.043 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -58.38 -34.69 71.0 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.782 0.66 . . . . 63.32 112.782 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 799' ' ' LEU . 92.0 t -63.71 -49.64 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 109.189 -0.671 . . . . 71.4 109.189 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -79.44 -5.75 55.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.019 -0.991 . . . . 72.25 112.927 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -94.14 8.44 41.6 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.421 1.089 . . . . 74.01 111.075 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.33 21.28 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.776 1.23 . . . . 74.21 110.829 -175.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -104.74 -26.51 12.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.031 0.932 . . . . 73.21 110.845 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 151.38 48.88 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.14 0.976 . . . . 74.31 109.901 -176.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.08 132.27 63.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.981 0 C-N-CA 124.062 0.945 . . . . 75.34 108.901 168.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.45 129.06 56.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.743 1.217 . . . . 73.35 108.37 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 60.5 p -111.46 -143.78 0.39 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.986 -1.487 . . . . 72.54 106.986 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.76 74.55 1.57 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.966 0.803 . . . . 63.42 111.415 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.27 21.2 79.27 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.875 -0.602 . . . . 24.43 112.24 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.22 131.74 63.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.788 0.835 . . . . 61.33 110.213 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -99.66 149.62 23.12 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.999 0.919 . . . . 75.24 111.848 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.66 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.17 145.43 15.03 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.519 1.137 . . . . 73.23 110.3 172.781 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.563 ' H ' ' HB3' ' C' ' 762' ' ' LEU . 0.5 OUTLIER -72.05 123.3 89.27 Favored Pre-proline 0 C--O 1.243 0.744 0 N-CA-C 108.528 -0.916 . . . . 75.04 108.528 171.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 818' ' ' PRO . . . . . 0.4 ' HB2' ' O ' ' C' ' 820' ' ' ASN . 9.9 Cg_endo -56.05 -19.87 28.19 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.7 2.934 . . . . 70.22 114.598 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 72.63 -7.44 1.42 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.161 1.385 . . . . 74.42 112.924 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 820' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' C' ' 818' ' ' PRO . 25.7 p-10 177.55 -179.18 0.23 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.183 1.393 . . . . 64.3 108.67 -174.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 49.2 t -126.27 -5.89 6.58 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.26 0.624 . . . . 70.31 110.853 173.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.255 1.35 0 C-N-CA 124.877 1.271 . . . . 37.76 110.97 -178.151 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 120.399 -0.112 . . . . 61.22 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.63 142.62 45.77 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.907 -0.775 . . . . 72.1 108.907 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -101.88 155.35 18.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.803 -1.09 . . . . 74.43 108.569 -175.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' B' ' 115' ' ' LEU . 19.0 pt -133.94 159.47 42.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.025 0 N-CA-C 109.239 -0.652 . . . . 53.34 109.239 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 18.4 m-85 -108.64 113.17 25.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.679 -1.146 . . . . 71.33 108.108 172.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 60.5 t -90.57 93.57 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 106.504 -1.665 . . . . 72.32 106.504 177.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -97.27 100.32 11.78 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.509 0.671 . . . . 74.14 109.262 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -93.73 142.47 27.32 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.926 -1.033 . . . . 53.54 110.069 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.13 127.05 45.46 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 108.297 -1.001 . . . . 61.12 108.297 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 97.7 mt-30 -109.93 83.4 1.75 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.875 -0.602 . . . . 61.22 109.398 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.75 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 55.9 t-105 -99.36 112.89 24.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.322 1.849 . . . . 62.44 107.06 173.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -160.52 147.96 15.98 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.973 0.795 . . . . 64.11 109.932 -169.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 13.9 m -103.01 121.33 42.33 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.884 -0.598 . . . . 63.31 110.085 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mm -94.36 133.12 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.217 1.007 . . . . 70.11 109.168 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 m -99.29 125.85 45.0 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.155 -0.683 . . . . 70.21 109.155 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -143.24 171.97 13.37 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.875 0.87 . . . . 52.15 108.942 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -106.92 161.52 14.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.447 0.641 . . . . 44.02 110.218 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.49 160.83 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-N 114.129 -1.396 . . . . 72.23 110.835 171.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.98 140.42 21.22 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 124.197 0.999 . . . . 65.13 110.014 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 57.4 Cg_endo -68.57 -24.6 35.61 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.718 2.279 . . . . 61.34 111.925 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -79.28 -20.24 48.53 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.851 1.261 . . . . 60.15 112.464 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.16 165.19 14.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.903 0.382 . . . . 74.15 110.282 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -73.87 154.99 39.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.547 0.739 . . . . 73.32 111.785 171.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 50' ' ' LEU . 51.4 mm -54.17 -27.84 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.137 1.375 . . . . 62.22 111.638 172.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -44.16 -39.73 4.53 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.989 1.716 . . . . 50.13 112.841 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -67.52 -45.3 76.17 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-O 119.242 -0.408 . . . . 72.35 110.684 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG21 HD11 ' A' ' 56' ' ' LEU . 57.3 t -62.58 -51.71 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.732 0.777 . . . . 64.34 109.418 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -57.83 -42.21 83.87 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 112.843 -1.981 . . . . 71.41 111.0 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.88 69.36 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.691 -0.686 . . . . 61.52 111.419 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 92.3 mttt -64.18 -52.68 57.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 70.22 110.153 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 36' ' ' ILE . 11.0 pt -70.98 -28.13 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.736 0.414 . . . . 74.3 111.3 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.06 -36.85 82.95 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.17 0.51 . . . . 74.52 111.085 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -74.56 -46.82 36.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.696 0.798 . . . . 74.42 111.124 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.7 mmtt -81.15 -57.34 3.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.158 -0.928 . . . . 52.43 110.161 -174.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.73 -6.67 45.62 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.921 0.489 . . . . 70.45 112.189 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.52 18.82 77.36 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-O 119.813 -0.437 . . . . 74.22 113.785 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.588 HD11 HG13 ' A' ' 30' ' ' ILE . 2.5 pp -76.55 119.35 77.02 Favored Pre-proline 0 CA--C 1.557 1.23 0 N-CA-C 109.163 -0.68 . . . . 61.51 109.163 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -83.91 107.53 1.32 Allowed 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.84 2.36 . . . . 70.21 110.868 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -48.87 -32.05 21.64 Favored 'Trans proline' 0 N--CA 1.514 2.69 0 C-N-CA 124.604 3.536 . . . . 71.12 114.962 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.05 -45.99 75.32 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.977 -1.01 . . . . 71.25 111.337 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 3.6 pt20 -113.27 16.73 18.99 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.26 1.024 . . . . 63.41 111.221 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 6.5 tp-100 -127.23 109.19 11.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.841 -1.17 . . . . 62.22 107.841 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.585 HH22 HG23 ' C' ' 756' ' ' THR . 0.5 OUTLIER -78.07 101.25 6.87 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.384 0.674 . . . . 74.13 109.887 178.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.19 116.88 17.31 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.913 0.885 . . . . 73.22 108.997 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.59 131.55 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.253 -0.647 . . . . 51.23 109.253 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -123.71 96.75 5.08 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.964 -1.124 . . . . 63.21 107.964 -177.129 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.36 33.38 23.08 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.783 0.833 . . . . 74.52 111.693 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.1 -4.7 65.36 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 114.62 0.608 . . . . 73.35 114.62 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -99.15 124.36 44.13 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.875 0.838 . . . . 64.31 110.772 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -79.5 124.11 28.18 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.138 -0.69 . . . . 63.22 109.138 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 23' ' ' ILE . 32.5 mt -85.07 119.31 25.33 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.427 0.691 . . . . 55.23 112.016 -171.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.709 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 32.9 tt0 -80.95 134.67 35.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.945 0.898 . . . . 72.13 109.174 173.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.96 -54.05 8.96 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.58 1.552 . . . . 75.12 112.374 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.04 18.2 57.82 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 114.295 -1.321 . . . . 74.3 113.579 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.709 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 3.4 tpt180 -81.16 173.22 12.75 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.172 -1.047 . . . . 74.1 108.172 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.68 151.79 26.44 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.61 -0.885 . . . . 54.54 108.61 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 61' ' ' ILE . 4.1 mm? -62.15 -46.03 90.81 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 109.863 -0.421 . . . . 75.12 109.863 176.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -61.83 -29.3 70.07 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.355 0.502 . . . . 75.41 112.355 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.34 -37.73 65.24 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.986 0.915 . . . . 73.34 111.354 173.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -92.85 -6.34 48.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.827 -0.624 . . . . 73.52 111.303 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.31 55.9 4.77 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 122.407 1.099 . . . . 64.45 109.476 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 56' ' ' LEU . 32.8 mm -70.21 95.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 113.959 -1.473 . . . . 75.45 109.078 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -79.75 166.1 22.11 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.904 -1.044 . . . . 63.4 110.331 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.7 ttmt -65.95 138.52 57.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.314 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 45.9 mt-10 63.61 25.44 14.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.057 1.343 . . . . 71.21 112.595 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -75.93 142.72 41.96 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 122.632 0.373 . . . . 64.11 110.633 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.04 110.72 21.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.426 0.69 . . . . 63.23 111.313 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.17 144.48 26.08 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.298 -1.371 . . . . 75.22 107.298 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HH2' ' A' ' 10' ' ' TRP . 8.1 tp -123.78 127.23 73.72 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 121.445 0.64 . . . . 62.13 109.642 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD21 HD12 ' A' ' 30' ' ' ILE . 42.9 mt -100.17 114.41 27.8 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.378 -0.828 . . . . 72.23 110.573 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.24 117.04 33.0 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.283 -1.377 . . . . 65.11 107.283 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.13 173.91 7.02 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 118.552 0.614 . . . . 70.24 110.481 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 27.6 m -35.21 109.32 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.421 1.088 . . . . 62.02 112.975 171.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' C' ' 760' ' ' ALA . 0.0 OUTLIER -135.59 -69.2 0.5 Allowed 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.762 -1.57 . . . . 74.12 106.762 176.581 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' HG2' HD13 ' A' ' 73' ' ' LEU . 20.3 mmt85 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.842 -1.072 . . . . 75.13 108.652 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.528 -0.229 . . . . 73.31 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.401 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -87.08 147.9 25.48 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.123 -1.066 . . . . 64.04 108.123 173.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.526 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 1.8 mm100 -82.01 155.53 25.12 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.525 -0.917 . . . . 72.05 108.525 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -139.79 153.55 23.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 C-N-CA 123.651 0.78 . . . . 70.0 109.954 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.98 103.05 10.54 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.099 -0.955 . . . . 70.31 108.533 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.642 HG23 HD21 ' A' ' 15' ' ' LEU . 53.5 t -99.36 108.29 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 109.913 -0.403 . . . . 70.44 109.913 -176.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 30.6 t0 -82.37 103.49 11.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.327 -0.619 . . . . 75.54 109.327 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.0 t -97.67 146.73 25.04 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.821 1.248 . . . . 52.24 110.539 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.75 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 11.7 p -136.14 126.07 40.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.088 0.471 . . . . 64.25 111.277 166.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -132.5 141.67 48.87 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.118 -0.946 . . . . 73.34 109.026 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -68.28 151.66 46.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.861 -0.792 . . . . 71.23 108.861 168.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -148.34 112.07 5.08 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.177 -0.675 . . . . 75.3 109.177 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -93.8 130.57 39.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.687 0.795 . . . . 52.12 110.428 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 28.6 mt -110.48 160.64 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.43 1.092 . . . . 72.35 108.145 173.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 19.6 p -123.89 127.0 47.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 60.51 109.324 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 HG23 ' B' ' 126' ' ' VAL . 4.3 tt -133.59 150.96 51.62 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.798 -1.556 . . . . 74.12 106.798 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.6 tt0 -119.49 129.15 54.57 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.063 0.847 . . . . 71.03 109.144 168.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -132.81 169.0 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.122 0.569 . . . . 73.5 109.977 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -112.93 156.58 42.48 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 108.958 -0.756 . . . . 71.52 108.958 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -63.8 -27.6 67.79 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.181 1.921 . . . . 41.04 111.296 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -80.37 -9.68 59.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 70.22 112.903 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.86 156.65 30.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.621 0.368 . . . . 73.13 110.309 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.4 p -92.83 165.06 13.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.774 0.83 . . . . 75.42 110.84 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.48 ' HA ' HG12 ' B' ' 126' ' ' VAL . 35.2 mm -73.65 -23.14 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 114.604 -1.18 . . . . 72.43 110.612 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.48 -32.58 67.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.66 0.384 . . . . 72.14 110.028 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 11.2 m120 -68.92 -53.87 18.63 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.159 -0.928 . . . . 65.43 110.328 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' B' ' 123' ' ' ILE . 14.4 p -62.89 -38.05 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.652 0.595 . . . . 63.02 111.177 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 54.4 pttt -70.07 -36.65 75.11 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 121.097 0.475 . . . . 74.12 110.297 176.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.52 61.09 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 119.338 -0.363 . . . . 61.04 111.603 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 73.1 mmtt -76.39 -46.3 27.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.035 0.534 . . . . 73.13 110.104 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.2 pt -66.4 -33.68 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 N-CA-C 109.976 -0.379 . . . . 73.11 109.976 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -66.91 -47.74 70.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.809 0.443 . . . . 52.12 111.978 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.58 -52.36 61.32 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.441 0.696 . . . . 65.3 110.88 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.41 -54.15 5.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.514 -1.221 . . . . 73.45 111.691 -172.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' GLU . . . . . 0.436 ' HG3' HD13 ' B' ' 113' ' ' ILE . 27.3 mm-40 -95.93 -15.3 22.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.512 -0.313 . . . . 74.32 111.038 -166.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.98 14.63 80.44 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.312 0.382 . . . . 43.42 112.964 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 130' ' ' ILE . 88.0 mt -70.05 124.06 89.98 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 123.919 0.888 . . . . 74.33 109.822 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.646 ' HB2' ' HB2' ' B' ' 140' ' ' GLN . 34.8 Cg_endo -63.07 112.67 1.75 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 121.634 1.556 . . . . 73.42 109.077 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.509 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 56.7 Cg_endo -65.15 -42.01 14.99 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.38 2.72 . . . . 72.33 114.137 -161.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -88.87 -32.23 17.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.545 0.738 . . . . 74.32 111.319 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.762 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 72.9 mt-30 -75.68 -19.57 59.05 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.465 0.478 . . . . 64.44 111.079 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -129.58 86.11 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.563 -1.273 . . . . 74.44 107.563 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -80.82 138.37 36.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.928 -1.487 . . . . 64.33 110.724 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.2 tp -81.29 132.35 35.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.589 0.756 . . . . 72.42 109.765 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -116.81 138.37 51.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.957 0.903 . . . . 72.21 109.347 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 0.9 OUTLIER -118.65 101.78 8.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.336 -0.987 . . . . 63.32 108.336 -176.115 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.39 26.57 5.49 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.342 0.867 . . . . 73.24 113.342 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.43 36.09 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.326 0.49 . . . . 70.01 114.326 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.2 OUTLIER -137.24 117.91 13.98 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.442 -0.947 . . . . 75.4 108.442 172.475 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -74.22 155.71 38.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.646 0.26 . . . . 65.14 110.4 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.11 120.46 38.55 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.389 -0.967 . . . . 70.43 108.389 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.08 128.34 35.42 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.942 -0.762 . . . . 73.24 108.942 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.306 0.642 . . . . 75.41 112.124 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.41 15.26 63.65 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.69 -0.506 . . . . 43.4 113.5 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -105.35 176.95 4.99 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 117.5 0.65 . . . . 63.03 109.916 -177.018 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 19.9 m -108.84 156.61 19.46 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.596 0.759 . . . . 71.5 110.096 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.31 -42.13 96.48 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.807 0.843 . . . . 74.3 110.378 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -63.14 -31.39 72.53 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.187 0.595 . . . . 65.44 112.05 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.37 -31.1 63.49 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 73.54 111.538 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -102.06 -7.79 22.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.38 0.672 . . . . 75.31 111.666 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.71 53.88 11.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.225 1.01 . . . . 60.21 110.272 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' B' ' 145' ' ' PHE . 5.4 mm -59.19 124.68 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.581 1.152 . . . . 73.11 110.437 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -92.94 156.34 16.99 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.947 0.88 . . . . 71.31 111.67 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -65.65 141.58 58.34 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 114.651 -1.159 . . . . 62.12 109.186 173.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 58.32 24.41 11.56 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.992 1.317 . . . . 51.54 112.358 -172.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.7 t -62.23 119.12 8.4 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-N 118.083 0.401 . . . . 50.0 110.684 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -92.75 100.44 12.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.057 0.543 . . . . 72.22 109.894 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.13 144.6 25.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.749 0.82 . . . . 65.35 109.19 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 14.9 tt -99.89 120.67 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.977 -0.749 . . . . 71.34 108.977 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 35.9 tp -74.13 130.29 39.49 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.254 -0.647 . . . . 63.22 109.254 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.02 157.15 31.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.108 0.963 . . . . 74.53 110.116 -173.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.37 163.55 27.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.861 0.864 . . . . 75.14 110.498 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.762 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 3.8 t -57.9 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.576 1.15 . . . . 73.44 112.055 178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 21.4 tp 169.69 -93.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.223 1.809 . . . . 60.41 106.707 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' C' ' 812' ' ' ALA . 9.7 mtp180 . . . . . 0 CA--C 1.564 1.483 0 C-N-CA 126.315 1.846 . . . . 75.44 107.938 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 CA-C-O 119.561 -0.577 . . . . 55.42 113.158 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 76.8 p -159.78 173.61 15.74 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 74.51 110.243 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -79.21 -43.11 24.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.163 -0.471 . . . . 74.5 110.482 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.0 m 59.95 22.09 11.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.513 1.125 . . . . 64.04 112.13 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.19 127.43 19.31 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.788 1.235 . . . . 73.24 113.0 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 13.0 m -72.19 145.74 47.82 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.372 -0.831 . . . . 72.2 110.494 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.01 35.3 50.27 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 123.322 0.389 . . . . 74.02 112.693 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 27.5 ptm -68.2 158.86 32.31 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.168 0.587 . . . . 72.0 110.346 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.21 60.85 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.691 0.797 . . . . 53.3 111.971 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 20.5 t 64.07 25.62 13.81 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.354 1.462 . . . . 74.35 111.819 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -168.92 -65.25 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.988 0.515 . . . . 75.22 110.151 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 744' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . -67.22 -18.39 65.22 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.174 -0.921 . . . . 62.51 112.836 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.14 -39.63 94.42 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.311 1.044 . . . . 73.13 111.273 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.21 -37.54 55.3 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.007 0.817 . . . . 74.31 111.735 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 47.6 mtmt -71.0 -58.3 3.7 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 123.723 0.809 . . . . 62.2 111.623 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.65 -46.07 14.39 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 124.741 1.276 . . . . 72.34 112.142 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -80.17 -23.59 40.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.967 -0.56 . . . . 73.12 110.494 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.92 -39.81 79.42 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.518 -0.549 . . . . 73.41 109.518 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.82 -41.26 95.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.227 1.011 . . . . 74.21 109.742 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.43 -36.92 82.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.472 -0.785 . . . . 71.45 109.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.05 -40.21 87.09 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.531 0.732 . . . . 54.52 110.229 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -61.4 -42.65 99.07 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.53 -0.759 . . . . 61.11 110.683 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -71.25 -27.14 63.24 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 114.846 -1.07 . . . . 75.44 110.324 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 756' ' ' THR . . . . . 0.585 HG23 HH22 ' A' ' 42' ' ' ARG . 81.7 m -66.36 -37.43 85.28 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.568 -0.53 . . . . 73.14 109.568 172.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -64.08 -59.55 4.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 119.667 -0.206 . . . . 75.01 110.775 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.576 HG22 HD12 ' C' ' 762' ' ' LEU . 32.2 mt -61.99 -45.29 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 124.134 0.896 . . . . 61.33 110.533 -173.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.09 -42.74 84.12 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 119.116 -0.468 . . . . 63.12 110.842 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.568 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -72.2 -36.64 69.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.311 0.485 . . . . 42.12 112.311 -175.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.406 ' HE3' ' CZ2' ' A' ' 10' ' ' TRP . 23.8 ptm -66.96 -41.13 87.43 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 107.995 -1.113 . . . . 54.12 107.995 171.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.676 HD13 HD21 ' C' ' 808' ' ' LEU . 20.5 mt -68.62 -13.6 62.46 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.562 0.745 . . . . 64.25 112.921 173.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 95.1 m -75.49 -15.96 60.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.248 0.619 . . . . 71.2 110.675 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.92 -60.43 1.65 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 62.44 110.154 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -91.66 75.36 5.81 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 107.325 -1.361 . . . . 55.14 107.325 172.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.63 28.67 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.814 1.042 . . . . 74.23 113.814 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 23.2 m -158.51 123.87 4.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.502 1.521 . . . . 51.4 107.123 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.602 HD21 ' HG ' ' C' ' 762' ' ' LEU . 0.8 OUTLIER -157.98 149.68 21.67 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.013 0.369 . . . . 71.11 111.859 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 43.6 m -74.56 150.48 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.226 0.536 . . . . 71.01 110.455 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.412 ' O ' HD12 ' C' ' 770' ' ' LEU . 1.8 tp -66.86 -43.24 84.1 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.955 1.302 . . . . 54.01 112.332 -174.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.87 -36.39 48.37 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.201 0.6 . . . . 72.23 111.681 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -57.59 -61.66 2.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.158 0.983 . . . . 61.33 111.115 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.636 HD11 HD11 ' C' ' 799' ' ' LEU . 2.5 pp -72.15 -25.33 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.044 -0.98 . . . . 71.34 110.937 -172.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.441 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 72.6 t80 -62.39 -55.39 28.37 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 109.451 -0.574 . . . . 63.03 109.451 171.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -65.05 -30.16 71.1 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 123.63 0.581 . . . . 74.04 112.181 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 83.2 mtp -64.77 -59.08 4.63 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.434 0.294 . . . . 71.13 110.245 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.404 HD22 HD21 ' C' ' 795' ' ' LEU . 10.6 mp -58.52 -35.69 72.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.363 0.665 . . . . 55.32 111.801 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.68 -47.44 81.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.023 -0.99 . . . . 74.51 109.767 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -54.43 -55.91 24.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.364 0.665 . . . . 75.34 110.38 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.34 -23.08 66.91 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.342 0.868 . . . . 71.24 113.342 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.595 HG11 HG12 ' C' ' 790' ' ' ILE . 7.6 p -83.41 -38.64 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 118.84 0.746 . . . . 74.11 111.836 175.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.37 -22.11 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 112.592 0.59 . . . . 51.22 112.592 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 7.1 p -63.34 -19.15 64.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 112.216 0.45 . . . . 75.53 112.216 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -141.38 -171.51 12.76 Favored Glycine 0 N--CA 1.466 0.666 0 O-C-N 123.67 0.606 . . . . 62.15 111.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.27 -33.57 38.67 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.691 2.261 . . . . 74.11 111.734 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 29.65 -89.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.452 2.301 . . . . 42.52 114.723 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 -0.87 6.78 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.355 1.062 . . . . 72.05 111.177 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.31 64.31 0.97 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.747 1.219 . . . . 32.53 109.846 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 69.12 117.97 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.204 1.401 . . . . 73.43 111.644 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.651 HD12 HD23 ' C' ' 795' ' ' LEU . 26.3 pt -84.8 155.42 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.168 -1.049 . . . . 62.53 108.168 164.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -126.03 163.31 23.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.44 -0.578 . . . . 71.05 109.44 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.8 -43.35 76.77 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 124.188 0.995 . . . . 74.2 112.124 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 793' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' C' ' 794' ' ' GLU . 10.5 pt20 -48.18 -45.05 33.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 73.12 110.861 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 794' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' C' ' 793' ' ' GLN . 7.2 tp10 -86.4 -28.69 23.42 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.271 -1.331 . . . . 72.34 110.637 -173.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.651 HD23 HD12 ' C' ' 790' ' ' ILE . 1.2 tm? -81.77 -57.21 3.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.37 1.068 . . . . 60.43 109.849 -176.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -52.9 -46.47 68.01 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.239 1.016 . . . . 73.15 109.607 167.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 797' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' C' ' 801' ' ' LYS . . . -53.02 -44.68 62.36 Favored Glycine 0 C--N 1.355 1.63 0 O-C-N 124.481 1.113 . . . . 54.05 114.546 171.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -47.09 87.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.921 0.888 . . . . 74.41 110.677 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.636 HD11 HD11 ' C' ' 773' ' ' ILE . 16.9 mt -69.44 -46.13 67.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.17 -1.377 . . . . 74.45 112.531 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.7 -31.53 72.8 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.886 -0.783 . . . . 75.14 108.886 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 801' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 797' ' ' GLY . 0.1 OUTLIER -62.09 -52.81 62.4 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 107.861 -1.163 . . . . 64.23 107.861 174.382 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -56.14 -37.57 69.67 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.634 0.584 . . . . 74.24 112.349 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.42 HG23 ' O ' ' C' ' 799' ' ' LEU . 93.8 t -63.39 -45.49 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 122.989 0.516 . . . . 45.34 110.745 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -79.78 -9.2 59.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.385 0.674 . . . . 73.12 112.133 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -100.79 10.38 41.21 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.737 0.815 . . . . 71.32 110.312 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 61.46 12.8 4.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.54 1.536 . . . . 73.2 113.014 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 807' ' ' GLN . . . . . 0.43 ' O ' ' HD2' ' C' ' 818' ' ' PRO . 17.8 mm100 -78.64 -38.96 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.565 0.746 . . . . 75.43 109.472 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.676 HD21 HD13 ' C' ' 762' ' ' LEU . 28.3 mt -126.92 157.44 39.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.106 0.962 . . . . 54.35 111.033 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 809' ' ' VAL . . . . . 0.462 HG12 ' HD3' ' C' ' 818' ' ' PRO . 5.1 p -128.99 131.77 67.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 107.438 -1.319 . . . . 63.2 107.438 171.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.46 109.6 21.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.345 -0.983 . . . . 74.44 108.345 -176.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.528 ' HB3' HG22 ' C' ' 814' ' ' VAL . 27.5 t -85.68 -145.27 0.1 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.381 -0.97 . . . . 61.02 108.381 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 812' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 174' ' ' ARG . . . -72.69 75.46 1.11 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.367 0.985 . . . . 65.31 110.685 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.7 14.36 75.28 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 116.358 -0.383 . . . . 52.32 113.897 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' C' ' 811' ' ' SER . 10.4 m -123.49 151.59 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.148 -0.686 . . . . 73.11 109.148 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 135.3 41.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.237 -0.653 . . . . 74.12 109.237 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.411 ' HB2' HG13 ' C' ' 809' ' ' VAL . 86.8 mtt180 -125.96 137.09 53.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.682 -1.145 . . . . 74.4 108.457 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.674 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 10.3 tp -88.4 106.32 12.17 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.983 -1.117 . . . . 71.33 107.983 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 818' ' ' PRO . . . . . 0.462 ' HD3' HG12 ' C' ' 809' ' ' VAL . 33.1 Cg_endo -62.81 163.56 21.53 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.762 2.308 . . . . 63.53 112.215 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -67.37 92.94 0.3 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.446 -0.797 . . . . 74.21 109.516 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -74.82 -14.45 60.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.109 0.964 . . . . 53.35 110.894 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 39.8 m -65.0 88.34 0.07 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.264 1.026 . . . . 63.24 110.365 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.006 0.922 . . . . 75.34 110.415 -177.727 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.702 -0.159 . . . . 53.53 112.702 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.82 -176.13 5.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.076 0.941 . . . . 45.33 109.805 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.472 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -122.5 161.14 24.17 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.608 -1.633 . . . . 75.44 108.011 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.483 HG23 HD13 ' B' ' 167' ' ' LEU . 60.8 mt -134.34 145.55 32.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.124 -0.695 . . . . 73.42 109.124 177.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CD1' HG22 ' B' ' 114' ' ' THR . 9.3 m-30 -102.87 101.81 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 106.94 -1.504 . . . . 74.41 106.94 169.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.68 HG13 HD21 ' B' ' 143' ' ' LEU . 86.1 t -91.76 96.36 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 108.548 -0.908 . . . . 54.4 108.548 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -79.42 96.48 6.06 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.358 -0.608 . . . . 71.55 109.358 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -88.7 106.12 18.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.763 0.792 . . . . 72.13 109.11 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' B' ' 110' ' ' TRP . 5.0 p -95.38 137.68 22.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 115.169 -0.923 . . . . 74.03 109.624 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -140.17 143.62 36.21 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 123.899 0.879 . . . . 31.45 109.817 -170.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.613 ' HH2' ' SD ' ' C' ' 776' ' ' MET . 0.1 OUTLIER -112.67 124.76 53.28 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.079 -1.082 . . . . 73.14 108.079 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.07 113.23 14.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.645 0.778 . . . . 64.01 110.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 19.9 m -77.59 104.17 7.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.242 -0.651 . . . . 55.23 109.242 172.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 10.3 mt -90.8 150.85 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 108.769 -0.826 . . . . 64.12 108.769 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -107.55 121.14 44.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.887 -1.153 . . . . 74.31 107.887 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD21 HG23 ' B' ' 105' ' ' VAL . 1.1 pt? -135.52 164.5 27.68 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.503 0.721 . . . . 74.45 109.111 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.53 147.48 35.27 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.442 0.697 . . . . 72.12 109.956 173.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.39 163.05 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.236 -0.893 . . . . 70.5 110.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -108.01 151.53 41.33 Favored Pre-proline 0 N--CA 1.485 1.308 0 C-N-CA 123.553 0.741 . . . . 73.51 110.13 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.29 -29.48 46.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.679 2.252 . . . . 52.41 111.872 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -84.55 -9.94 57.87 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.71 1.204 . . . . 73.22 111.714 -175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -72.38 152.62 41.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 109.767 -0.457 . . . . 71.42 109.767 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -76.95 157.8 31.06 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.591 0.71 . . . . 51.35 110.253 167.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.687 HG21 ' HB3' ' A' ' 50' ' ' LEU . 42.8 mm -67.14 -26.59 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 114.881 -1.054 . . . . 71.23 109.242 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 36.4 tt0 -49.02 -43.97 40.94 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.574 1.149 . . . . 74.1 111.177 170.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -57.08 -52.26 65.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.158 0.911 . . . . 73.41 111.111 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.97 -47.77 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.809 0.843 . . . . 75.13 111.435 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HA ' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -72.44 -29.73 63.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.845 0.458 . . . . 73.15 111.189 -177.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.08 78.57 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.573 0.349 . . . . 24.44 110.776 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -80.08 -35.9 36.29 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.749 0.648 . . . . 74.22 112.749 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 27' ' ' LYS . 2.9 pp -68.69 -32.8 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 119.543 1.065 . . . . 53.23 109.269 172.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.92 -43.13 89.04 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.086 -0.506 . . . . 70.25 110.566 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.67 -49.29 69.11 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.264 1.026 . . . . 54.21 111.5 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.77 -60.03 2.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.105 -0.952 . . . . 70.15 110.534 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' HD11 ' A' ' 36' ' ' ILE . 5.2 tp10 -87.49 -30.45 20.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.808 0.443 . . . . 72.45 111.636 -169.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.26 25.58 16.12 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 113.476 0.15 . . . . 70.02 113.476 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.5 mt -85.26 123.1 73.62 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 123.283 0.633 . . . . 73.4 109.946 -176.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 15.8 Cg_exo -69.4 116.09 4.36 Favored 'Trans proline' 0 CA--C 1.559 1.745 0 C-N-CA 122.484 2.123 . . . . 72.31 111.165 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.66 -24.7 54.98 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.469 2.779 . . . . 62.23 113.963 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.6 -33.69 76.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.271 -0.877 . . . . 75.14 111.821 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 12.3 pt20 -100.35 18.68 18.29 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.376 0.608 . . . . 63.01 111.261 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' HD11 ' A' ' 69' ' ' LEU . 17.5 tt0 -105.33 142.15 35.6 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.516 1.126 . . . . 64.44 111.101 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 3.3 mpt_? -124.36 84.23 2.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.537 -1.283 . . . . 74.3 107.537 163.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 121.22 24.75 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.134 -1.432 . . . . 55.44 107.134 174.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.579 HG12 ' HG3' ' A' ' 49' ' ' GLN . 12.6 mt -126.9 139.56 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 109.466 -0.568 . . . . 65.34 109.466 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 50' ' ' LEU . 37.8 t80 -122.96 109.91 14.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 74.43 109.055 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.32 18.68 5.68 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.074 0.95 . . . . 41.45 112.736 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' HD11 ' C' ' 753' ' ' LEU . . . 93.69 27.16 13.27 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 114.572 0.589 . . . . 61.31 114.572 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -139.2 119.08 13.28 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.245 -1.02 . . . . 71.22 108.245 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.579 ' HG3' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -73.04 131.01 41.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.785 0.834 . . . . 62.54 111.349 -171.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.8 mm? -73.36 98.2 2.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.301 1.04 . . . . 63.21 109.989 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 32.8 mm-40 -70.91 142.25 51.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.796 0.838 . . . . 63.02 111.669 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -41.57 -64.51 0.56 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.321 1.848 . . . . 75.04 113.132 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.88 31.46 8.17 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.836 -0.62 . . . . 52.2 113.263 -177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 8.7 tpt180 -89.59 -179.85 5.88 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.82 -1.178 . . . . 74.2 107.82 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 151.75 36.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.278 0.631 . . . . 74.12 109.409 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 23' ' ' ILE . 4.1 mm? -58.54 -41.74 86.23 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.328 0.651 . . . . 50.44 110.62 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -62.9 -27.19 69.2 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.173 0.989 . . . . 74.32 112.653 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.12 -31.98 70.56 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.117 0.484 . . . . 41.12 110.987 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB2' HG13 ' A' ' 61' ' ' ILE . 75.7 m-85 -97.01 1.44 50.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.647 0.779 . . . . 65.4 110.355 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t30 59.15 30.79 20.65 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.222 1.009 . . . . 72.53 109.931 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 59' ' ' TYR . 49.5 mt -63.16 111.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 114.953 -1.021 . . . . 72.33 109.78 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -108.77 -171.82 1.93 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.395 1.078 . . . . 72.45 108.875 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -65.81 155.2 36.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.297 0.239 . . . . 71.32 110.545 177.172 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 39.27 52.14 2.14 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.093 1.757 . . . . 55.32 113.253 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.063 -0.971 . . . . 61.54 108.984 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.49 123.33 38.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.11 0.564 . . . . 55.21 111.042 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 1.2 mp -114.11 156.6 23.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.579 -1.267 . . . . 71.2 107.579 175.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.96 134.22 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.916 -0.772 . . . . 72.02 108.916 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' H ' ' B' ' 108' ' ' VAL . 39.0 tp -93.01 128.8 39.0 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.1 -0.955 . . . . 75.55 110.135 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.7 mp -120.57 158.37 27.48 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.371 -0.974 . . . . 73.33 108.371 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 tp -99.86 172.12 7.44 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.132 0.973 . . . . 54.35 110.145 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -37.28 124.85 0.99 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.259 1.424 . . . . 72.03 113.783 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.8 -70.82 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.258 -1.016 . . . . 72.15 108.258 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 42' ' ' ARG . 6.5 ptm180 . . . . . 0 CA--C 1.554 1.114 0 CA-C-O 118.512 -0.756 . . . . 55.54 110.156 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 N-CA-C 111.395 -0.682 . . . . 74.43 111.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.38 -179.77 8.25 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.328 0.585 . . . . 75.33 111.509 -174.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.12 123.48 20.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.076 -1.453 . . . . 74.41 107.076 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.5 pt -120.95 175.92 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.105 0.562 . . . . 72.42 111.72 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.0 m-85 -120.9 113.01 19.5 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.211 -0.904 . . . . 71.15 108.631 177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.573 HG23 HD21 ' A' ' 15' ' ' LEU . 63.7 t -107.62 112.85 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.666 -0.864 . . . . 73.31 108.666 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.542 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.4 t0 -80.97 96.88 7.23 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.008 -0.738 . . . . 74.41 109.008 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.6 t -98.06 143.85 28.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.929 0.891 . . . . 75.44 110.949 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.664 ' H ' HD23 ' A' ' 69' ' ' LEU . 4.9 p -109.95 135.87 47.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.093 0.557 . . . . 74.14 110.358 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.39 145.62 39.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.87 0.868 . . . . 73.14 108.983 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -127.66 141.28 51.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.678 0.391 . . . . 75.53 111.264 172.026 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -116.02 145.1 43.26 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.367 1.067 . . . . 72.05 109.413 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.412 HG23 ' HB3' ' A' ' 4' ' ' PHE . 28.9 m -97.02 112.54 24.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.626 0.77 . . . . 74.32 109.449 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 25.9 mm -97.77 109.56 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 109.176 -0.675 . . . . 74.12 109.176 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 4' ' ' PHE . 39.1 p -89.73 102.01 14.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.991 0.424 . . . . 73.44 110.411 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.26 171.66 7.42 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.7 -0.682 . . . . 73.21 110.091 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 25.2 mt-10 -126.77 135.35 50.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.533 0.733 . . . . 71.43 110.236 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.88 170.76 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-N 115.211 -0.904 . . . . 70.34 110.39 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -108.59 150.43 40.7 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.581 0.752 . . . . 75.12 109.711 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' PRO . . . . . 0.404 ' HB2' ' OG ' ' B' ' 157' ' ' SER . 52.1 Cg_endo -66.22 -33.35 39.95 Favored 'Trans proline' 0 C--N 1.37 1.698 0 C-N-CA 122.642 2.228 . . . . 73.22 113.006 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 62.3 p -82.91 -8.62 59.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.292 0.637 . . . . 55.23 111.898 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -74.44 158.19 34.3 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.525 -0.546 . . . . 75.4 109.525 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -93.19 171.05 9.18 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.616 0.766 . . . . 63.52 110.071 171.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.673 HG21 ' HB3' ' B' ' 150' ' ' LEU . 27.8 mm -73.99 -14.47 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-N 115.482 -0.781 . . . . 71.03 109.705 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.461 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 9.0 pt-20 -60.01 -32.24 70.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.841 0.456 . . . . 72.13 110.382 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 23.3 m120 -66.09 -43.63 86.75 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.927 -0.397 . . . . 73.14 109.927 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.63 -48.37 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.207 0.603 . . . . 71.04 110.576 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.611 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -64.77 -36.49 84.48 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 123.29 0.368 . . . . 74.01 110.927 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -69.04 -33.11 73.07 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.468 0.48 . . . . 70.34 111.644 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.1 mmtt -77.43 -42.38 36.32 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.634 0.373 . . . . 64.51 110.922 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.53 ' HB ' HD12 ' B' ' 136' ' ' ILE . 22.9 pt -71.3 -25.53 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 117.958 0.345 . . . . 73.11 110.705 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -71.68 -46.6 58.32 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.866 0.866 . . . . 75.31 110.982 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.54 -49.82 75.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.622 0.769 . . . . 73.12 110.197 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -80.91 -62.94 1.52 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.615 -1.175 . . . . 72.25 111.296 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -98.35 -10.54 23.65 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.882 0.697 . . . . 74.24 112.882 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.8 64.95 Favored Glycine 0 N--CA 1.469 0.876 0 O-C-N 123.1 0.25 . . . . 52.15 113.165 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.53 HD12 ' HB ' ' B' ' 130' ' ' ILE . 73.6 mt -81.72 122.83 80.7 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.462 0.705 . . . . 72.13 109.553 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 32.1 Cg_exo -59.88 132.11 43.23 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.969 2.446 . . . . 52.52 112.242 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.611 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.6 Cg_endo -53.0 -41.24 72.92 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 123.411 2.741 . . . . 63.04 112.38 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.73 -39.31 65.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.485 1.114 . . . . 60.4 111.224 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 172' ' ' THR . 38.5 mt-30 -97.76 8.25 45.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.343 -0.844 . . . . 74.42 112.957 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' B' ' 127' ' ' LYS . 0.0 OUTLIER -78.64 82.17 4.9 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.862 0.465 . . . . 74.41 110.171 178.328 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' B' ' 142' ' ' ARG . 0.2 OUTLIER -95.26 79.89 3.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.799 -0.815 . . . . 53.13 108.799 172.714 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 5' ' ' VAL . 10.2 mt -89.23 113.58 24.82 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.173 -1.376 . . . . 52.45 108.748 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -100.62 112.16 24.51 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.993 -1.114 . . . . 54.32 107.993 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -110.67 106.08 15.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.062 1.345 . . . . 72.02 109.297 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.88 26.6 15.84 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 124.095 0.872 . . . . 54.1 111.459 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' C' ' 822' ' ' SER . . . 95.35 -3.53 66.3 Favored Glycine 0 C--N 1.347 1.171 0 N-CA-C 114.893 0.717 . . . . 53.03 114.893 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -97.37 126.59 42.71 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.923 -0.769 . . . . 74.3 108.923 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.9 136.79 35.3 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.927 -0.768 . . . . 71.24 108.927 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.673 ' HB3' HG21 ' B' ' 123' ' ' ILE . 10.8 mp -85.75 97.61 10.25 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.772 0.796 . . . . 74.23 112.282 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.11 132.04 35.34 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.7 -1.591 . . . . 64.12 107.382 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.663 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 24.7 m-20 -61.09 -28.29 68.98 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.138 0.975 . . . . 74.55 113.196 -168.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -77.54 -8.0 87.13 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-N 115.739 -0.664 . . . . 63.22 114.359 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.429 ' O ' HG12 ' B' ' 123' ' ' ILE . 3.8 mmp_? -88.83 156.52 18.9 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 117.283 0.542 . . . . 73.51 109.597 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 7.7 p -92.02 163.4 14.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.766 0.426 . . . . 54.24 110.185 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.59 -37.87 85.82 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 109.412 -0.588 . . . . 75.23 109.412 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' B' ' 119' ' ' PRO . 70.1 m -64.52 -29.86 70.89 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.016 0.527 . . . . 62.11 112.049 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.1 -17.31 63.84 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.185 0.594 . . . . 63.41 111.137 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' B' ' 150' ' ' LEU . 86.9 m-85 -102.64 -9.45 20.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.57 0.748 . . . . 73.12 111.081 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.59 52.87 10.4 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.006 0.908 . . . . 73.15 108.994 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' B' ' 159' ' ' TYR . 3.4 mm -62.31 110.51 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 114.391 -1.277 . . . . 74.21 110.18 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -77.12 147.54 36.53 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.345 -1.298 . . . . 75.21 109.426 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -65.14 127.71 32.79 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 108.915 -0.772 . . . . 72.44 108.915 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 68.64 23.36 7.2 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.608 1.193 . . . . 72.45 111.674 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.3 p -59.96 140.94 56.39 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 123.479 0.487 . . . . 74.11 110.944 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -107.16 111.5 23.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.774 0.43 . . . . 73.5 110.781 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.483 HD13 HG23 ' A' ' 3' ' ' ILE . 4.2 mp -113.49 148.15 36.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.459 1.104 . . . . 75.53 108.731 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' C' ' 766' ' ' GLU . 12.9 tt -100.62 115.3 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.535 0.683 . . . . 74.13 110.651 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.599 HD13 ' HG ' ' B' ' 143' ' ' LEU . 67.8 tp -98.46 130.15 45.07 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.299 1.04 . . . . 61.51 109.818 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 767' ' ' SER . 4.1 mt -130.8 121.8 26.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.134 0.974 . . . . 72.43 108.598 170.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.411 HD21 HG12 ' B' ' 136' ' ' ILE . 7.3 mp -74.81 85.24 2.19 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.988 0.805 . . . . 63.33 109.29 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' B' ' 140' ' ' GLN . 11.6 p -150.65 151.64 32.8 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.758 1.223 . . . . 73.54 109.202 -176.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -80.46 -57.05 3.77 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.562 0.619 . . . . 70.44 109.628 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 . . . . . 0 C--O 1.251 1.151 0 N-CA-C 107.978 -1.119 . . . . 73.22 107.978 175.146 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.482 -0.247 . . . . 64.04 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 21.5 m -71.75 -40.71 69.17 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.923 0.889 . . . . 44.31 112.059 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -99.15 126.13 44.86 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.147 0.579 . . . . 62.3 110.733 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 22.6 m -110.02 16.33 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.918 0.887 . . . . 74.14 110.975 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.71 112.54 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.825 1.25 . . . . 71.02 110.576 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 17.2 t -115.15 158.18 22.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.601 0.761 . . . . 70.42 110.415 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 153.02 -53.91 0.46 Allowed Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.096 -0.801 . . . . 61.34 111.096 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 80.9 mmm -122.02 147.19 46.39 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.283 1.033 . . . . 73.52 109.363 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 741' ' ' ALA . . . . . 0.402 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . . . -167.8 86.56 0.23 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.187 0.995 . . . . 74.43 109.675 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 55.9 m -149.59 106.25 3.54 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.413 1.085 . . . . 54.44 108.78 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 80.87 -61.9 0.22 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.751 2.021 . . . . 73.54 111.333 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.9 64.15 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.171 0.988 . . . . 74.05 111.535 -174.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' C' ' 741' ' ' ALA . 8.2 p-10 -53.72 -42.74 68.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.829 1.252 . . . . 63.34 112.067 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.88 -54.9 27.93 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.067 0.855 . . . . 70.41 112.068 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.2 -48.23 52.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.831 0.852 . . . . 60.14 112.035 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -41.71 97.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.433 -0.803 . . . . 70.13 110.768 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -75.01 -30.89 61.25 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.44 0.462 . . . . 72.3 110.434 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -48.39 72.75 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.064 0.853 . . . . 72.02 109.954 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.46 -42.85 99.4 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.158 0.911 . . . . 64.11 110.461 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.3 -34.58 78.31 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 123.822 0.701 . . . . 71.23 109.575 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 753' ' ' LEU . . . . . 0.554 HD11 ' HA2' ' A' ' 47' ' ' GLY . 3.1 tm? -71.27 -41.15 70.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.32 1.048 . . . . 64.21 110.159 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.501 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 32.0 m-85 -62.92 -40.99 99.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.469 0.708 . . . . 74.41 109.433 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.438 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.5 t-105 -68.36 -45.21 73.43 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.88 -1.055 . . . . 73.15 110.407 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 756' ' ' THR . . . . . 0.442 HG21 ' HD2' ' A' ' 74' ' ' ARG . 98.6 m -63.41 -32.13 73.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.083 0.553 . . . . 64.5 110.468 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.448 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.03 -60.31 3.67 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.669 -0.696 . . . . 74.43 109.454 171.384 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' C' ' 762' ' ' LEU . 56.3 mt -62.97 -37.01 78.19 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 114.956 -1.02 . . . . 72.51 111.016 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' C' ' 817' ' ' LEU . 52.5 mt-30 -63.56 -58.8 5.84 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.745 0.818 . . . . 71.21 110.906 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -71.71 -22.74 61.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.586 -1.188 . . . . 71.03 111.766 -170.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.711 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.7 ppp? -85.25 -37.58 19.9 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 110.166 -0.309 . . . . 62.31 110.166 172.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' C' ' 761' ' ' MET . 1.7 mm? -68.91 -27.75 66.06 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 123.525 0.73 . . . . 74.13 111.634 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 11.4 t -67.78 -16.82 64.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.535 0.334 . . . . 72.23 111.136 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -104.7 -53.94 2.6 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.341 0.656 . . . . 73.43 109.609 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.458 ' O ' HD13 ' C' ' 762' ' ' LEU . 3.4 mp -96.32 72.58 2.82 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.449 -0.945 . . . . 62.31 108.449 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 26.0 tt0 -78.62 76.1 5.13 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 116.449 -0.341 . . . . 65.14 110.546 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 767' ' ' SER . . . . . 0.484 ' O ' HD13 ' B' ' 170' ' ' LEU . 6.9 m 151.78 103.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 128.008 2.523 . . . . 54.12 110.011 169.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 5.4 mp -133.35 142.65 48.52 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.162 0.585 . . . . 74.13 110.236 169.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 769' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 22.9 t -58.11 144.06 41.59 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.781 -1.1 . . . . 61.13 109.316 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.456 HD13 HD13 ' C' ' 799' ' ' LEU . 5.0 tp -50.89 -36.71 39.54 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.282 0.988 . . . . 71.42 111.578 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.52 -39.25 90.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.379 0.511 . . . . 72.13 112.379 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.45 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 21.5 mtp180 -61.85 -58.53 7.59 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.648 0.379 . . . . 53.3 110.409 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.55 HD12 HD11 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -59.93 -39.86 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 115.089 -0.96 . . . . 52.41 110.618 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.445 ' HA ' HD11 ' C' ' 795' ' ' LEU . 35.4 t80 -56.98 -50.59 72.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.998 0.919 . . . . 61.3 111.303 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -67.58 -30.69 70.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.712 0.405 . . . . 62.13 111.616 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 776' ' ' MET . . . . . 0.613 ' SD ' ' HH2' ' A' ' 10' ' ' TRP . 21.3 mtm -60.73 -55.44 33.13 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.898 -0.408 . . . . 71.2 109.898 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.424 HD21 HD11 ' C' ' 758' ' ' ILE . 10.8 mp -59.48 -34.45 72.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.576 0.75 . . . . 74.52 111.099 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' C' ' 781' ' ' VAL . 27.6 mtm180 -64.55 -44.33 91.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.142 0.577 . . . . 73.34 111.493 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.39 -50.48 67.45 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.347 0.659 . . . . 74.12 110.257 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 780' ' ' PHE . . . . . 0.501 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 7.1 m-85 -68.16 -35.07 77.48 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.385 -0.371 . . . . 73.23 111.574 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.53 HG21 ' H ' ' C' ' 790' ' ' ILE . 6.7 p -77.54 -30.8 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.458 0.303 . . . . 44.51 111.753 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 -33.66 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 117.684 0.22 . . . . 71.23 110.978 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 25.1 p -77.4 -24.85 50.42 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 120.826 0.346 . . . . 62.35 111.483 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -114.29 174.66 15.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.529 -0.759 . . . . 73.12 112.315 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -84.57 17.7 1.69 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 123.397 2.731 . . . . 72.0 112.776 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.47 106.0 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.998 1.719 . . . . 71.34 113.964 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 36.95 38.33 0.09 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.361 2.264 . . . . 63.01 112.929 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.54 -67.36 0.25 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.123 1.369 . . . . 72.01 110.582 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -163.22 133.52 4.46 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.165 0.986 . . . . 64.14 108.455 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.575 HD12 HD12 ' C' ' 795' ' ' LEU . 31.1 pt -80.17 175.86 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.444 0.698 . . . . 74.44 109.55 167.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 791' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' C' ' 794' ' ' GLU . 20.4 t70 -149.65 172.67 14.68 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.992 -0.744 . . . . 74.54 108.992 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.43 -45.99 87.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.85 0.86 . . . . 74.42 111.363 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -34.59 78.33 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.177 0.298 . . . . 71.43 110.797 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 794' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' C' ' 791' ' ' ASP . 13.1 tp10 -70.4 -47.0 62.87 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.197 0.999 . . . . 72.01 110.561 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.575 HD12 HD12 ' C' ' 790' ' ' ILE . 7.6 tt -76.77 -51.2 11.83 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 124.363 1.065 . . . . 62.25 110.165 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.46 -44.69 89.35 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.825 0.85 . . . . 75.24 110.615 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.5 -34.63 86.45 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.952 0.782 . . . . 61.41 113.599 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 8.2 t80 -64.52 -51.87 60.69 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.088 0.555 . . . . 64.12 109.604 175.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.55 HD11 HD12 ' C' ' 773' ' ' ILE . 3.5 mt -66.61 -29.0 68.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.545 0.738 . . . . 61.31 112.227 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.39 -47.25 77.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.867 -0.79 . . . . 75.41 108.867 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -57.44 -50.43 73.03 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.824 1.327 . . . . 74.41 109.888 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -60.87 -39.76 90.43 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.169 0.803 . . . . 62.21 113.169 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 56.1 t -68.98 -44.67 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 122.926 0.49 . . . . 63.14 110.803 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -78.0 -12.02 59.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.283 0.633 . . . . 74.3 112.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -94.32 -4.82 47.95 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.933 0.893 . . . . 74.43 110.863 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 64.99 14.1 9.11 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.203 1.401 . . . . 65.14 111.556 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 807' ' ' GLN . . . . . 0.413 ' HG3' ' HZ2' ' C' ' 755' ' ' TRP . 5.6 tp-100 -78.0 -22.44 49.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.028 1.331 . . . . 74.21 110.552 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' C' ' 817' ' ' LEU . 1.4 tt -144.24 138.7 28.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.187 -1.412 . . . . 74.12 107.187 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.93 130.32 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.039 0.536 . . . . 74.13 109.879 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -92.44 105.68 17.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.517 -1.29 . . . . 72.24 107.517 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.538 ' HB3' HG13 ' C' ' 814' ' ' VAL . 23.7 t -78.27 -146.84 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.722 0.809 . . . . 63.45 109.273 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.52 72.08 1.88 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.835 0.743 . . . . 64.52 111.486 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.18 21.42 78.04 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.86 -0.609 . . . . 43.31 112.628 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.0 p -143.17 139.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.501 0.721 . . . . 63.45 109.41 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -92.81 134.15 35.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.997 0.519 . . . . 73.31 110.761 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.657 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 5.0 ppt_? -154.19 141.31 19.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.737 0.815 . . . . 75.42 109.197 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.575 HD23 ' HG ' ' C' ' 808' ' ' LEU . 76.7 mt -71.75 143.93 87.66 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 112.08 0.4 . . . . 71.14 112.08 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -43.72 131.13 7.64 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 124.557 3.505 . . . . 52.32 115.169 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 819' ' ' LYS . . . . . 0.411 ' HB3' ' H ' ' C' ' 820' ' ' ASN . 39.8 mttp -89.4 -130.38 0.08 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 108.023 -1.103 . . . . 71.21 108.023 163.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 820' ' ' ASN . . . . . 0.411 ' H ' ' HB3' ' C' ' 819' ' ' LYS . 1.7 p-10 -50.47 -45.69 56.37 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.61 0.764 . . . . 73.54 110.589 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 32.0 t -173.98 -78.73 0.01 OUTLIER 'General case' 0 C--O 1.244 0.798 0 N-CA-C 107.193 -1.41 . . . . 71.2 107.193 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 822' ' ' SER . . . . . 0.49 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 8.7 t . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 117.68 -1.152 . . . . 70.04 108.664 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.44 0 N-CA-C 110.765 -0.934 . . . . 32.01 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -160.45 149.61 17.21 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.991 0.9 . . . . 74.33 109.514 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.4 148.3 25.32 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.419 -1.326 . . . . 63.41 107.419 176.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.39 164.23 31.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 C-N-CA 122.997 0.519 . . . . 73.34 110.018 -174.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.5 ' CD1' HG22 ' B' ' 114' ' ' THR . 4.9 m-85 -123.01 102.78 8.19 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.527 -1.286 . . . . 74.13 107.527 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -90.82 96.8 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.17 -1.048 . . . . 73.54 108.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.91 101.31 1.73 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.374 -0.83 . . . . 73.13 110.248 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -88.47 101.19 13.67 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.311 -0.859 . . . . 43.13 109.077 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.55 135.83 29.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 N-CA-C 108.627 -0.879 . . . . 75.25 108.627 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.63 103.18 7.98 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 71.42 107.133 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.412 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 49.9 t-105 -111.94 108.34 17.66 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 125.31 1.444 . . . . 70.54 108.099 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -154.2 134.76 13.52 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.433 0.458 . . . . 74.11 111.813 -172.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 7.5 m -76.65 116.62 17.5 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.241 -0.89 . . . . 74.13 109.16 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.82 122.11 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.079 -0.712 . . . . 72.01 109.079 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.1 m -88.99 127.56 35.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.459 -0.571 . . . . 74.55 109.459 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.51 171.17 15.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.756 1.222 . . . . 74.22 107.96 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -115.53 158.42 22.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.615 0.721 . . . . 75.22 110.32 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -151.01 172.96 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.009 -1.45 . . . . 70.22 108.842 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 45.3 mt-10 -125.28 150.17 66.44 Favored Pre-proline 0 N--CA 1.482 1.126 0 CA-C-N 118.457 0.571 . . . . 54.51 110.414 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 29.4 Cg_endo -63.39 -30.5 72.68 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.501 2.134 . . . . 74.44 112.603 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -84.51 -4.51 58.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.904 0.882 . . . . 73.44 112.412 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' O ' HD23 ' A' ' 56' ' ' LEU . 26.3 t70 -90.15 139.25 30.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.266 -1.383 . . . . 70.34 107.266 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 19.3 p -80.94 161.39 24.34 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.795 0.807 . . . . 74.55 112.707 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.491 HD13 HD22 ' A' ' 56' ' ' LEU . 13.7 mm -66.84 -28.9 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 113.813 -1.539 . . . . 74.33 110.016 173.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -50.23 -46.57 54.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.919 1.288 . . . . 72.32 111.407 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -63.93 -44.85 91.64 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.276 -0.874 . . . . 71.2 110.391 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.03 -48.91 80.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 O-C-N 123.733 0.646 . . . . 73.24 110.442 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -51.69 -53.77 35.53 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 125.261 1.424 . . . . 73.12 111.146 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.37 65.32 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-N 114.829 -1.078 . . . . 75.14 112.92 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 15.3 ptpt -82.22 -34.7 28.79 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.164 0.586 . . . . 74.21 110.172 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' HB ' HD11 ' A' ' 36' ' ' ILE . 14.7 pt -75.55 -34.68 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.482 -0.562 . . . . 73.14 109.482 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.3 -34.96 79.57 Favored 'General case' 0 C--N 1.362 1.137 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.534 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.67 -52.39 38.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.81 0.444 . . . . 71.52 111.074 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 44.5 mmtm -76.98 -64.09 1.21 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.722 -0.672 . . . . 73.13 111.624 -171.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.97 -18.89 38.34 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.402 0.681 . . . . 73.42 111.571 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.97 78.8 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.315 0.384 . . . . 73.54 112.279 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 ' HB ' ' A' ' 30' ' ' ILE . 11.8 pt -88.86 113.73 57.12 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.595 0.758 . . . . 61.33 110.007 -176.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.8 Cg_endo -81.36 134.79 9.13 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.06 2.506 . . . . 55.44 111.521 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -59.13 -42.98 45.6 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 123.621 2.881 . . . . 73.54 113.628 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.58 -33.41 75.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.526 0.731 . . . . 62.03 111.265 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -16.55 24.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.335 1.054 . . . . 65.43 110.613 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 68.4 mt-30 -140.06 98.2 3.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 61.43 109.282 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.573 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.8 103.05 6.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.562 0.745 . . . . 71.43 110.22 -176.392 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 67' ' ' LEU . 4.1 tt -71.86 111.9 7.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.278 1.031 . . . . 61.43 110.214 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.691 HG12 ' HG2' ' A' ' 49' ' ' GLN . 9.1 mt -110.28 133.24 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.302 -0.999 . . . . 54.34 108.302 168.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 20.3 t80 -120.63 119.66 33.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.652 1.181 . . . . 73.22 109.288 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.96 19.26 11.49 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 124.02 0.825 . . . . 51.12 112.321 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.46 29.85 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 115.251 -0.886 . . . . 74.55 113.703 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -143.17 117.98 9.92 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.959 0.904 . . . . 71.13 109.52 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.691 ' HG2' HG12 ' A' ' 44' ' ' ILE . 77.2 mt-30 -70.87 129.45 39.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.302 -0.629 . . . . 63.15 109.302 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.3 mt -87.35 117.34 26.05 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.902 -0.59 . . . . 74.2 110.308 -174.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 53' ' ' GLY . 32.9 tt0 -76.84 123.17 25.84 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.31 -0.859 . . . . 73.11 109.068 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.2 p-10 -61.68 -23.85 66.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.141 0.976 . . . . 74.33 112.037 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' H ' ' HG2' ' A' ' 51' ' ' GLU . . . -74.28 0.96 52.08 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.878 -0.601 . . . . 74.55 114.33 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -111.43 178.8 4.21 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.807 0.804 . . . . 75.21 110.807 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.4 m -115.72 159.17 21.75 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.117 0.967 . . . . 73.42 109.586 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 21' ' ' ASP . 4.4 mm? -62.12 -41.71 98.51 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.149 0.579 . . . . 73.44 112.221 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -30.67 71.74 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.362 0.505 . . . . 75.01 112.362 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' THR . 16.4 t70 -55.79 -33.19 64.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.493 0.717 . . . . 71.43 111.259 174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.84 -12.23 29.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.401 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.34 45.86 22.08 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.41 1.084 . . . . 73.44 110.233 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD13 ' A' ' 56' ' ' LEU . 34.4 mt -71.27 119.68 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 73.0 109.399 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -98.06 -171.76 2.22 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.102 0.961 . . . . 75.21 109.821 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.4 147.24 36.13 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 120.829 0.347 . . . . 71.22 111.273 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 55.93 31.74 18.44 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.614 1.566 . . . . 64.54 112.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -73.59 136.15 43.93 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 123.277 0.631 . . . . 72.31 109.327 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.93 129.08 46.73 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.379 0.609 . . . . 74.54 111.312 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -126.04 164.82 20.01 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.189 1.795 . . . . 75.25 107.128 -177.014 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.17 133.98 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.172 0.511 . . . . 73.41 111.096 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mp -87.05 122.59 31.08 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.197 -0.911 . . . . 74.31 108.966 165.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 3.2 mm? -95.17 125.5 39.86 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.097 -1.446 . . . . 75.44 107.097 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB2' HG13 ' B' ' 108' ' ' VAL . 2.3 tt -70.01 149.12 48.05 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.835 -0.802 . . . . 75.34 108.835 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.465 ' N ' HD23 ' A' ' 71' ' ' LEU . 31.8 m -34.17 104.22 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.279 1.832 . . . . 70.02 113.495 -177.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.3 pp -79.58 -18.74 51.01 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 115.283 -0.871 . . . . 65.22 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 73' ' ' LEU . 6.6 ptm180 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 124.812 1.245 . . . . 54.2 109.06 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.333 -0.307 . . . . 52.55 112.333 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.427 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.29 152.89 26.67 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.79 0.805 . . . . 53.44 110.264 -175.017 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.95 151.45 23.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.524 -1.217 . . . . 72.13 109.504 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -143.68 164.13 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 121.386 0.612 . . . . 71.43 110.828 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 12' ' ' THR . 19.4 m-85 -124.98 104.25 8.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.9 -1.045 . . . . 73.55 108.726 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.4 m -101.62 105.68 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.214 0.915 . . . . 64.31 108.705 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 13.9 t0 -75.35 136.43 40.82 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.627 -0.879 . . . . 75.3 108.627 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.5 t -132.69 141.11 48.43 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 121.27 0.557 . . . . 53.24 110.702 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 71' ' ' LEU . 2.0 p -119.21 124.09 72.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.125 -1.398 . . . . 53.0 108.103 171.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -133.79 146.55 50.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.635 -0.876 . . . . 73.01 108.635 169.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -132.41 131.12 41.46 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.025 -1.102 . . . . 74.44 108.025 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -139.55 158.56 43.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.672 1.189 . . . . 71.03 108.938 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 42.7 m -123.42 120.83 34.11 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.672 0.789 . . . . 52.51 109.424 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 34.1 mm -99.07 110.07 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.35 -0.982 . . . . 72.51 108.35 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.5 HG22 ' CD1' ' A' ' 4' ' ' PHE . 28.0 p -91.0 118.17 30.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.432 -0.581 . . . . 53.01 109.432 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.46 159.73 40.69 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.177 0.591 . . . . 73.51 110.135 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.89 143.16 30.43 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.312 -0.625 . . . . 61.14 109.312 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.52 165.45 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 115.057 -0.974 . . . . 73.44 109.636 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -113.92 152.6 45.82 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.141 0.576 . . . . 52.35 110.487 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.66 -30.32 69.95 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.654 2.236 . . . . 74.52 112.106 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -88.01 0.42 55.96 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.062 0.945 . . . . 62.42 112.157 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -78.51 154.52 30.41 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.152 -0.684 . . . . 75.22 109.152 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -99.71 151.7 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.727 -0.67 . . . . 62.24 109.7 169.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.452 HD13 HD22 ' B' ' 156' ' ' LEU . 26.2 mm -56.36 -17.09 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 C-N-CA 125.588 1.555 . . . . 70.32 112.008 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 0.7 OUTLIER -56.55 -29.3 61.82 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.724 0.81 . . . . 74.41 110.916 176.616 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 3.5 p30 -61.33 -45.74 93.15 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 123.549 0.53 . . . . 64.24 109.609 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.11 -48.96 77.34 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 C-N-CA 123.835 0.854 . . . . 62.43 110.24 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -63.97 -35.86 82.08 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.426 -0.352 . . . . 70.5 110.285 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.69 85.81 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.523 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 32.0 mmtp -69.81 -42.56 73.54 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.973 0.509 . . . . 74.44 111.824 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.7 pt -68.2 -30.78 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-N 118.447 0.567 . . . . 55.43 110.12 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -77.96 -25.17 48.03 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.673 0.789 . . . . 53.41 111.972 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.21 -41.34 25.36 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.872 0.869 . . . . 75.21 110.263 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.42 -63.31 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.648 -1.16 . . . . 74.23 111.136 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.74 -7.87 22.22 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.297 0.481 . . . . 62.55 112.297 -171.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 75.22 27.35 64.14 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-O 119.631 -0.538 . . . . 65.24 113.582 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.88 109.26 14.17 Favored Pre-proline 0 CA--C 1.557 1.23 0 C-N-CA 123.782 0.833 . . . . 75.14 110.131 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 6.8 Cg_exo -70.85 140.26 38.21 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.434 2.09 . . . . 72.33 110.475 171.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.463 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 13.8 Cg_endo -55.08 -33.32 83.22 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.719 2.946 . . . . 63.33 113.437 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.41 -25.56 66.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.492 1.517 . . . . 72.15 113.039 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -100.98 5.1 43.01 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.557 0.743 . . . . 71.43 111.443 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -145.18 145.37 31.32 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.327 0.492 . . . . 54.34 112.327 -173.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' B' ' 173' ' ' LEU . 0.0 OUTLIER -107.07 101.55 10.96 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.231 -1.026 . . . . 51.12 108.231 170.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.457 ' HB2' HE22 ' B' ' 141' ' ' GLN . 54.4 tp -83.42 106.25 15.02 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 107.431 -1.322 . . . . 73.1 107.431 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.59 141.25 30.86 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.012 -0.736 . . . . 45.23 109.012 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' B' ' 150' ' ' LEU . 20.4 t80 -142.61 112.89 7.17 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.224 1.41 . . . . 73.35 107.24 177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 63.0 20.88 12.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.866 0.866 . . . . 75.42 112.791 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.13 60.29 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.876 -0.402 . . . . 73.34 114.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -132.21 135.69 46.5 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.079 -0.711 . . . . 75.15 109.079 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -76.26 150.86 36.93 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.233 0.54 . . . . 71.21 110.073 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 145' ' ' PHE . 48.5 mt -98.45 110.32 22.93 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.42 -0.809 . . . . 60.4 110.089 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 40.6 mt-10 -65.88 128.74 37.21 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.47 -0.937 . . . . 74.44 108.47 172.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.562 ' HB2' ' HG2' ' B' ' 127' ' ' LYS . 8.8 p-10 -60.89 -32.45 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.388 0.675 . . . . 63.42 111.605 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.18 -1.49 90.37 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.561 -0.577 . . . . 42.15 114.429 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 173.31 7.67 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 117.642 0.721 . . . . 73.22 109.188 -175.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 29.2 m -105.41 155.41 19.16 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 72.03 111.2 -173.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.452 HD22 HD13 ' B' ' 123' ' ' ILE . 4.3 mm? -61.97 -45.43 93.69 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.795 0.838 . . . . 74.54 110.858 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.4 t -62.4 -32.56 73.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.264 -0.425 . . . . 71.23 112.129 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.78 -35.0 65.78 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.741 0.65 . . . . 64.13 111.761 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.467 ' HB2' HD12 ' B' ' 161' ' ' ILE . 94.1 m-85 -99.14 -10.84 21.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.11 -0.495 . . . . 73.11 110.587 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 9.2 t30 60.07 63.89 1.35 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.147 0.904 . . . . 73.43 110.423 -171.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.467 HD12 ' HB2' ' B' ' 159' ' ' TYR . 2.0 mp -68.15 119.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.334 -0.848 . . . . 72.53 108.996 167.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.04 162.5 17.56 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.917 0.865 . . . . 72.34 110.86 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -68.84 140.2 55.21 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.766 -0.827 . . . . 64.41 108.766 171.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.97 15.97 10.28 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.866 1.266 . . . . 60.41 111.976 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.8 t -50.78 132.6 26.49 Favored 'General case' 0 C--N 1.374 1.674 0 N-CA-C 112.681 0.622 . . . . 43.33 112.681 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -101.73 105.53 16.43 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.047 0.451 . . . . 51.43 109.941 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.464 HD12 ' N ' ' B' ' 167' ' ' LEU . 1.6 mp -102.93 163.17 12.37 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.432 -1.322 . . . . 73.1 107.432 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 9.1 tt -133.41 122.75 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.612 0.72 . . . . 73.01 110.618 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.42 107.33 15.0 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.783 -1.099 . . . . 63.33 109.615 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.98 159.36 14.96 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.634 -0.876 . . . . 73.13 108.634 169.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.51 176.0 3.73 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.904 0.882 . . . . 73.22 109.676 165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 4.3 t -54.52 91.71 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.36 0 CA-C-O 121.801 0.81 . . . . 64.11 110.927 173.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.501 ' H ' ' HD2' ' B' ' 142' ' ' ARG . 41.7 tp -168.58 141.66 2.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.904 -1.044 . . . . 43.1 110.321 -173.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 . . . . . 0 C--O 1.252 1.227 0 N-CA-C 108.364 -0.976 . . . . 71.2 108.364 171.856 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 111.795 -0.522 . . . . 55.21 111.795 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 19.9 t -145.82 37.26 1.07 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.854 0.835 . . . . 70.11 110.143 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.72 9.88 8.74 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.819 1.248 . . . . 74.03 112.179 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 46.7 p -90.36 7.93 36.06 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.38 1.072 . . . . 64.25 111.564 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.34 144.96 55.08 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.226 1.01 . . . . 75.21 111.603 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 25.0 p -162.79 120.96 2.06 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.334 0.654 . . . . 74.42 109.957 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -151.12 173.05 30.67 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.369 0.418 . . . . 40.3 112.57 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 92.9 mmm -100.37 146.86 26.47 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.485 1.114 . . . . 61.13 110.666 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 59.37 42.72 17.6 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.66 1.184 . . . . 75.12 110.768 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 36.5 t -67.77 -10.65 54.53 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.925 -1.034 . . . . 75.41 112.934 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -72.97 -33.74 66.03 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.205 0.526 . . . . 64.34 110.013 173.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.62 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.346 0.658 . . . . 62.41 109.987 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.46 -39.45 94.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.618 -0.719 . . . . 71.33 110.099 174.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -47.57 -58.07 4.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.543 1.137 . . . . 74.12 111.814 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 5.7 ptpp? -70.09 -41.42 74.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.452 -0.794 . . . . 60.33 113.133 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.3 -50.58 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.725 0.41 . . . . 73.02 110.576 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.71 -25.77 64.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.477 -0.783 . . . . 73.11 111.197 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -54.54 44.36 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.683 -0.858 . . . . 71.33 108.683 172.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 76.0 mt -60.87 -39.49 89.4 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.467 1.105 . . . . 51.43 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.83 -35.87 81.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.821 0.849 . . . . 72.43 109.708 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.71 -38.46 67.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.471 0.708 . . . . 63.21 110.775 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.445 ' HE2' HD12 ' C' ' 787' ' ' LEU . 28.4 m-85 -65.4 -34.89 79.37 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.248 0.547 . . . . 73.21 109.579 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -71.78 -33.31 68.49 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 115.121 -0.945 . . . . 74.5 110.403 172.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 85.6 m -64.65 -32.94 74.83 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.764 0.711 . . . . 62.12 109.309 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.86 -65.86 0.62 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 74.14 110.679 170.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 51.1 mt -63.67 -26.72 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.355 0.662 . . . . 74.44 111.73 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.5 tt0 -75.74 -53.78 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.367 -0.605 . . . . 74.44 109.367 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -70.28 -20.27 63.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.629 -0.714 . . . . 75.2 112.021 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 26.1 ttt -78.71 -60.71 2.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.928 -0.767 . . . . 73.4 108.928 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' C' ' 768' ' ' LEU . 9.6 mp -74.54 -13.67 60.7 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.677 0.621 . . . . 75.3 112.677 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 73' ' ' LEU . 5.3 t -64.01 -16.81 62.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.094 0.473 . . . . 70.32 111.401 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -128.65 -38.16 1.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.887 0.875 . . . . 75.4 110.251 171.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.409 HD23 HD23 ' C' ' 768' ' ' LEU . 9.7 tp -90.12 56.66 3.5 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.454 1.102 . . . . 64.13 108.932 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.3 55.31 2.83 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.168 0.987 . . . . 63.52 111.759 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 48.2 m -175.4 91.84 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.519 1.128 . . . . 61.11 109.053 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' C' ' 762' ' ' LEU . 1.7 pp -159.95 154.05 23.32 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 113.056 0.762 . . . . 74.23 113.056 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.5 t -74.85 159.28 32.09 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.136 0.574 . . . . 62.21 110.93 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.441 ' O ' HD12 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -56.76 -42.27 79.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.667 1.187 . . . . 72.21 110.038 170.109 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.39 -44.38 44.98 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.733 0.813 . . . . 75.54 111.93 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' C' ' 776' ' ' MET . 27.0 mtp85 -61.12 -63.78 1.18 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.147 0.904 . . . . 63.53 110.564 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.94 -23.46 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 123.831 0.707 . . . . 74.5 112.26 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.591 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 56.4 t80 -62.79 -55.18 28.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.252 -0.647 . . . . 74.31 109.252 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.16 -37.77 78.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 123.811 0.694 . . . . 64.12 111.511 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 776' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 95.7 mmm -59.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.41 -0.813 . . . . 64.04 109.839 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.591 ' HB3' HD11 ' C' ' 790' ' ' ILE . 10.1 mp -55.67 -32.52 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.815 -0.63 . . . . 75.54 112.646 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.467 ' O ' HG12 ' C' ' 781' ' ' VAL . 10.7 mmm180 -63.23 -52.77 60.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.162 0.585 . . . . 75.31 111.134 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.51 93.68 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.736 -0.386 . . . . 62.52 110.041 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.0 -39.87 93.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.291 0.478 . . . . 71.54 112.291 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 778' ' ' ARG . 3.9 p -75.51 -34.16 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.022 -0.535 . . . . 74.44 111.161 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 22.3 m -88.66 -23.77 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 113.121 0.786 . . . . 74.3 113.121 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.5 p -72.08 -21.51 61.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.253 0.549 . . . . 72.14 111.08 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -117.58 179.32 17.26 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 114.867 -1.061 . . . . 63.21 111.871 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.23 -3.18 13.5 Favored 'Trans proline' 0 C--N 1.369 1.639 0 C-N-CA 122.739 2.293 . . . . 71.03 112.174 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -41.44 101.23 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.329 1.852 . . . . 71.34 112.676 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 787' ' ' LEU . . . . . 0.445 HD12 ' HE2' ' C' ' 754' ' ' PHE . 30.7 mt 57.16 11.38 1.03 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.375 1.07 . . . . 54.13 113.77 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.27 -70.33 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.492 1.117 . . . . 61.41 110.266 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.72 131.43 2.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.428 1.091 . . . . 70.03 108.533 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' C' ' 777' ' ' LEU . 15.4 pt -79.87 154.4 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.556 0.742 . . . . 61.42 110.006 169.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.73 173.51 6.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.172 -0.922 . . . . 72.52 109.602 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.2 -40.88 48.46 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 124.326 1.051 . . . . 70.35 112.359 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -60.57 -44.06 96.6 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.341 0.656 . . . . 74.34 111.405 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.4 -56.38 14.69 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.64 0.776 . . . . 73.21 110.217 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.591 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -53.16 -61.33 2.37 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.937 1.695 . . . . 52.32 111.195 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -58.51 -47.37 84.35 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.043 1.337 . . . . 44.4 111.084 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -59.61 -33.69 78.28 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.319 0.387 . . . . 43.15 113.552 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -72.08 -52.36 17.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.897 0.879 . . . . 71.31 109.953 -176.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 55.5 mt -59.71 -39.78 85.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.12 -1.4 . . . . 72.43 111.094 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 800' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.8 OUTLIER -57.13 -52.73 64.13 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.565 1.165 . . . . 75.34 108.872 177.243 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 801' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.85 -49.58 72.94 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 124.506 1.129 . . . . 74.11 109.378 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.609 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -54.68 -40.64 69.32 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 112.329 0.492 . . . . 75.2 112.329 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.78 -37.54 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 123.111 0.565 . . . . 60.35 111.441 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 804' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 11.5 mmm180 -67.68 -38.24 83.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.199 0.6 . . . . 75.21 111.304 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -83.85 -1.25 54.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.265 1.426 . . . . 72.43 111.476 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 66.08 16.94 10.64 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.581 1.552 . . . . 73.14 111.464 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -81.59 -11.38 59.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.397 1.479 . . . . 74.13 110.894 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.9 OUTLIER -147.16 142.89 27.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.484 -0.932 . . . . 54.05 108.484 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.0 t -105.45 120.27 55.93 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 123.378 0.671 . . . . 63.31 109.623 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -97.18 110.58 23.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.379 1.071 . . . . 73.24 108.189 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 29.4 t -87.59 -144.96 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.569 -0.9 . . . . 73.2 108.569 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.54 75.49 1.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.648 0.658 . . . . 64.21 110.757 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.46 14.07 81.25 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 115.554 -0.748 . . . . 74.54 113.754 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.17 146.67 32.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 122.969 0.507 . . . . 72.12 109.906 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -99.31 148.86 23.72 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 123.248 0.619 . . . . 75.13 110.863 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -158.06 141.78 15.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.89 -1.504 . . . . 72.3 109.7 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.8 mt -82.88 131.35 54.53 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 119.421 -0.323 . . . . 70.23 110.939 173.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.68 148.0 32.19 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.696 2.264 . . . . 71.41 111.385 172.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -93.4 -25.13 17.81 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.66 0.784 . . . . 73.02 110.634 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.84 148.93 35.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.773 0.829 . . . . 73.24 109.009 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.47 168.3 16.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.167 0.587 . . . . 63.15 110.199 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.558 1.275 0 C-N-CA 124.011 0.924 . . . . 61.11 110.358 -179.277 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.895 -0.482 . . . . 73.33 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.6 ' HG3' HG22 ' B' ' 161' ' ' ILE . 1.4 pmm? -158.18 -169.99 2.98 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.764 0.792 . . . . 74.12 109.653 177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -138.62 158.7 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 125.189 1.395 . . . . 74.02 107.879 175.258 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.422 HD11 HD11 ' B' ' 115' ' ' LEU . 19.3 pt -134.56 163.83 35.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 CA-C-O 121.576 0.703 . . . . 75.34 110.81 175.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.36 103.72 9.72 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.135 -1.431 . . . . 70.51 107.135 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.7 t -91.87 95.03 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 108.085 -1.08 . . . . 73.24 108.085 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.59 97.51 0.79 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.623 0.769 . . . . 75.1 109.652 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 HD23 ' B' ' 169' ' ' LEU . 40.0 p -88.06 107.26 18.66 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.806 -0.813 . . . . 64.24 108.806 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.84 123.29 56.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-N 115.189 -0.914 . . . . 65.24 109.392 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 24.3 mp0 -103.35 82.92 2.11 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.121 -1.437 . . . . 64.33 107.121 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.41 ' CE3' HG22 ' B' ' 108' ' ' VAL . 29.5 t-105 -97.99 104.17 16.18 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 106.628 -1.619 . . . . 72.5 106.628 173.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -160.26 133.61 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.509 0.559 . . . . 70.31 112.509 -165.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 9.6 m -76.38 109.93 10.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.665 0.786 . . . . 72.12 109.392 173.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 18.9 mm -93.59 154.36 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 108.711 -0.848 . . . . 61.33 108.711 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -117.98 129.33 55.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.327 -0.619 . . . . 60.1 109.327 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.36 169.94 16.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.231 1.012 . . . . 65.31 108.447 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.713 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 4.3 tm-20 -121.82 134.58 54.9 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.969 -0.752 . . . . 73.5 108.969 -172.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.06 175.42 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.53 0.732 . . . . 65.42 111.94 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 72.0 mm-40 -107.42 150.86 40.58 Favored Pre-proline 0 N--CA 1.472 0.672 0 CA-C-N 115.258 -0.883 . . . . 74.54 109.606 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.26 -42.06 30.85 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 122.416 2.078 . . . . 62.12 112.031 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -87.81 2.05 52.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.053 0.541 . . . . 62.21 111.37 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.788 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 2.0 t70 -79.33 165.43 23.16 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.575 -0.898 . . . . 72.11 108.575 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -92.91 164.1 13.44 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.469 0.708 . . . . 73.13 111.209 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.679 HG21 ' HB3' ' A' ' 50' ' ' LEU . 29.7 mm -75.58 -19.81 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-N 115.09 -0.959 . . . . 73.22 110.525 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.93 -23.01 64.94 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.929 0.892 . . . . 62.43 110.854 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 57.9 t-20 -53.63 -62.49 1.62 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.312 1.445 . . . . 75.24 109.584 169.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.23 -42.12 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.884 -1.053 . . . . 60.43 110.23 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 35.5 ttpt -53.68 -52.44 60.0 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.523 1.14 . . . . 70.15 111.566 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.78 69.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.517 -0.765 . . . . 65.43 111.531 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.9 mmtp -63.95 -50.37 68.9 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.017 0.527 . . . . 72.52 111.088 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.29 -31.62 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.357 0.263 . . . . 75.43 110.381 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.46 -34.74 72.77 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.76 0.314 . . . . 74.31 111.091 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.58 -48.9 23.99 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.484 0.659 . . . . 61.34 110.866 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -84.47 -59.1 2.48 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.607 -1.179 . . . . 71.23 111.105 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.47 -28.67 31.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.284 0.634 . . . . 71.43 110.637 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.41 16.09 69.77 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.485 -0.78 . . . . 52.43 112.852 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 71.0 mt -70.67 117.17 52.98 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.05 0.54 . . . . 53.21 109.777 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.7 Cg_exo -77.76 118.79 4.59 Favored 'Trans proline' 0 CA--C 1.558 1.711 0 C-N-CA 123.244 2.63 . . . . 72.22 111.634 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HB3' ' HG3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -56.24 -41.89 71.83 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 124.171 3.247 . . . . 73.12 114.834 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.39 -27.78 66.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.659 0.784 . . . . 71.51 112.779 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.8 pt20 -116.41 18.17 15.25 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.103 0.561 . . . . 62.14 111.713 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 2.1 pt20 -113.09 147.4 37.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.383 0.611 . . . . 75.21 110.335 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.731 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 16.0 mtp180 -113.19 92.06 3.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.066 -1.087 . . . . 64.23 108.066 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -78.32 116.09 18.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.288 -1.005 . . . . 71.31 108.288 179.057 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.64 135.0 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 118.159 0.436 . . . . 74.32 110.74 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 45.1 t80 -131.54 112.06 12.3 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 125.348 1.459 . . . . 75.44 108.522 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.44 21.6 8.62 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.296 0.997 . . . . 44.22 112.468 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.2 54.59 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 114.829 0.692 . . . . 71.02 114.829 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -123.64 145.47 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.603 0.701 . . . . 64.11 110.5 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 132.9 35.19 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.963 0.905 . . . . 74.24 110.996 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.5 mm? -91.05 108.29 19.77 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.574 0.75 . . . . 64.52 109.294 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 40.7 mt-10 -85.72 135.29 33.81 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.188 -1.042 . . . . 74.02 108.188 171.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p-10 -63.81 -36.9 85.43 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.945 0.403 . . . . 71.14 111.345 -170.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 14.59 48.71 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.156 -0.475 . . . . 71.05 113.32 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tpt180 -98.7 165.07 11.97 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.612 -1.255 . . . . 74.41 107.612 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -96.96 157.61 15.82 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.527 0.603 . . . . 55.33 110.19 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.8 -37.99 80.7 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.258 -0.645 . . . . 73.44 109.258 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -67.01 -28.92 68.64 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.497 1.119 . . . . 71.35 112.66 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.85 -37.95 69.43 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.286 0.565 . . . . 51.4 110.494 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.9 m-85 -94.73 -0.01 54.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.958 -1.019 . . . . 73.21 111.076 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 t30 59.77 36.5 22.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.114 0.959 . . . . 54.22 110.404 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' A' ' 59' ' ' TYR . 38.5 mt -66.03 115.97 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.815 -1.084 . . . . 41.43 111.13 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.8 -170.89 1.79 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.536 1.134 . . . . 70.5 109.865 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.8 ttmt -72.59 143.91 48.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.844 0.457 . . . . 74.01 110.102 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.516 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 42.5 mt-10 60.43 26.54 16.12 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.632 1.573 . . . . 74.43 113.227 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.9 m -75.05 122.42 23.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.847 0.459 . . . . 63.42 110.632 177.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.52 127.9 40.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.502 0.721 . . . . 72.2 111.073 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -126.81 133.85 50.69 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.151 -1.425 . . . . 72.44 107.151 177.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 tt -99.82 137.9 25.86 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.521 0.677 . . . . 62.24 110.116 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.511 HD23 ' HG ' ' A' ' 43' ' ' LEU . 64.6 mt -98.92 104.23 16.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.454 -1.248 . . . . 60.22 108.299 174.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.731 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 78.7 mt -92.56 158.78 15.81 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.365 -0.976 . . . . 72.43 108.365 176.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 tp -100.47 168.91 9.44 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 109.125 -0.694 . . . . 72.21 109.125 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.87 109.48 0.2 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.419 1.088 . . . . 70.33 110.76 170.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' C' ' 760' ' ' ALA . 4.3 tt -82.13 -72.22 0.45 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.887 -1.153 . . . . 74.14 107.887 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 0 N-CA-C 108.164 -1.05 . . . . 65.13 108.164 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.227 -0.749 . . . . 65.23 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -156.31 158.93 38.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.358 0.663 . . . . 54.34 111.22 -175.077 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.713 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 16.1 mp0 -109.66 123.57 49.7 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.67 -1.233 . . . . 73.51 107.67 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.2 pt -120.48 165.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 123.112 0.565 . . . . 74.13 110.966 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 12.6 m-85 -110.24 124.94 52.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.323 -0.853 . . . . 61.43 108.847 -176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.5 108.04 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 107.888 -1.152 . . . . 70.35 107.888 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 8.5 t0 -74.54 102.39 4.5 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.487 -0.931 . . . . 63.42 108.487 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.461 ' HA ' HD12 ' A' ' 69' ' ' LEU . 62.2 p -90.46 140.79 29.4 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.632 1.173 . . . . 73.35 111.273 -172.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.432 HG11 ' OD1' ' C' ' 764' ' ' ASN . 44.8 t -116.61 109.17 27.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 124.518 1.136 . . . . 75.02 109.051 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 1.8 mp0 -115.98 139.47 50.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.325 -1.361 . . . . 65.42 107.325 169.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -135.89 132.85 37.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.96 -1.496 . . . . 74.13 106.96 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -150.86 123.04 8.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.97 0.794 . . . . 74.52 109.571 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 124.44 31.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.796 0.438 . . . . 71.11 109.886 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mm -100.26 111.24 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.617 -0.882 . . . . 74.01 108.617 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.5 m -93.54 119.99 33.27 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.594 -0.521 . . . . 24.01 109.594 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -137.96 168.57 19.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.202 0.601 . . . . 53.3 110.106 176.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 6.2 mp0 -106.15 150.26 26.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.744 0.818 . . . . 75.01 109.376 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.45 HG13 ' SD ' ' A' ' 1' ' ' MET . 7.2 p -152.51 164.07 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.936 0.772 . . . . 61.43 109.147 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -113.81 152.3 45.46 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 123.084 0.554 . . . . 74.03 110.648 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.2 -29.52 64.57 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 123.136 2.557 . . . . 75.42 112.806 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 24.7 m -78.71 -17.59 55.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.813 0.845 . . . . 62.02 112.117 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.73 156.96 28.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.657 0.383 . . . . 61.45 110.51 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 3.3 p -86.57 158.08 19.59 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.211 0.605 . . . . 72.13 110.751 173.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 27.4 mm -61.86 -25.48 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.918 -1.037 . . . . 65.14 109.48 168.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' B' ' 152' ' ' ASP . 7.9 tt0 -48.7 -33.22 9.72 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.82 1.248 . . . . 64.12 112.74 173.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -43.71 93.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 123.505 0.503 . . . . 74.22 110.446 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.42 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 24.9 t -68.24 -40.57 82.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.161 0.584 . . . . 50.41 110.233 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -55.9 -51.09 68.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.017 0.927 . . . . 71.43 110.911 172.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -32.25 71.82 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.56 -1.2 . . . . 71.52 111.373 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' B' ' 126' ' ' VAL . 0.5 OUTLIER -79.36 -36.81 38.76 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 119.054 -0.498 . . . . 72.33 111.785 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 136' ' ' ILE . 29.9 pt -70.0 -31.51 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.847 0.749 . . . . 32.11 110.145 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.56 -45.84 71.02 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.012 0.525 . . . . 74.33 110.621 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.49 -49.87 75.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.908 0.883 . . . . 72.13 110.694 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 133' ' ' LYS . 10.5 mmpt? -79.5 -69.86 0.55 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.396 -1.274 . . . . 74.44 111.105 -177.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' GLU . . . . . 0.428 ' HB2' HG13 ' B' ' 136' ' ' ILE . 12.2 mm-40 -91.56 -6.79 51.83 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 111.886 0.328 . . . . 75.54 111.886 -164.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.8 32.56 63.81 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.339 0.399 . . . . 63.11 112.655 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' B' ' 134' ' ' GLU . 80.2 mt -85.95 116.09 64.36 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.671 0.788 . . . . 74.2 109.849 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.524 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 37.9 Cg_endo -69.2 133.95 27.92 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.168 1.912 . . . . 71.55 111.66 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.524 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.0 Cg_endo -43.66 -38.34 9.15 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.809 3.672 . . . . 54.23 114.039 171.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.31 -37.71 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.972 -1.467 . . . . 72.32 111.985 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 137' ' ' PRO . 21.1 mt-30 -106.09 -0.46 24.75 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.425 ' HB2' HD11 ' B' ' 169' ' ' LEU . 5.4 pp0? -85.39 145.13 27.62 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.748 -0.464 . . . . 72.23 109.748 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' B' ' 173' ' ' LEU . 0.2 OUTLIER -130.33 70.72 1.44 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.008 -1.478 . . . . 74.1 107.008 176.329 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 101.21 5.95 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.036 -1.098 . . . . 71.2 108.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.23 149.74 23.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.861 0.864 . . . . 54.23 110.349 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' B' ' 150' ' ' LEU . 14.4 t80 -138.91 102.62 4.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.453 -1.314 . . . . 73.11 107.453 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.48 10.56 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.367 1.067 . . . . 33.5 113.199 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.3 17.59 36.38 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-O 119.809 -0.439 . . . . 74.03 113.958 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 3.8 ptpp? -141.26 123.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.39 -0.596 . . . . 74.42 109.39 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 154.78 39.39 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.817 0.341 . . . . 72.45 110.856 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -98.71 118.86 36.39 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.777 -0.823 . . . . 73.23 108.777 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -77.8 132.09 37.89 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.42 -0.955 . . . . 73.52 108.42 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.597 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 5.5 p-10 -60.56 -29.48 69.18 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.711 0.632 . . . . 74.12 111.602 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -74.49 5.95 26.33 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.354 -0.839 . . . . 60.12 114.341 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -112.77 173.54 6.33 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 117.654 0.727 . . . . 72.3 109.71 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 9.9 m -103.81 163.27 12.45 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.255 1.022 . . . . 73.12 109.931 -173.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.56 -43.72 89.0 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.719 -0.475 . . . . 74.2 109.719 171.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.1 t -67.04 -25.72 66.41 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.983 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.94 -31.27 68.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.34 0.656 . . . . 64.32 111.607 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.458 ' HB2' HD12 ' B' ' 161' ' ' ILE . 89.5 m-85 -106.68 -7.27 17.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.828 0.451 . . . . 74.22 110.384 176.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 51.71 62.59 2.63 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.469 1.107 . . . . 62.21 111.104 -170.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.6 HG22 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -58.51 124.79 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.726 -0.67 . . . . 74.41 109.904 173.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -79.15 154.13 29.54 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.68 0.752 . . . . 60.21 109.849 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.52 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 16.9 ptmt -61.47 129.37 40.83 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 108.399 -0.963 . . . . 51.21 108.399 168.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 164' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 39.2 mt-10 70.75 30.6 2.93 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 124.375 1.047 . . . . 74.12 110.628 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.5 m -52.12 144.96 11.25 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.746 0.418 . . . . 63.44 111.578 164.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -114.53 117.84 32.07 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.211 -0.663 . . . . 75.42 109.211 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 167' ' ' LEU . 0.3 OUTLIER -130.32 128.99 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.809 -1.182 . . . . 44.0 107.809 -173.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 18.9 pt -99.5 116.89 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 121.538 0.685 . . . . 72.31 109.934 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 7' ' ' THR . 45.2 tp -82.37 99.16 9.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.261 -0.644 . . . . 74.43 109.261 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -95.41 161.91 13.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.695 1.198 . . . . 72.33 109.926 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.08 162.71 20.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.666 0.386 . . . . 73.14 111.283 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 7.7 t -44.35 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.532 1.533 . . . . 60.03 114.394 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.444 ' H ' ' HD2' ' B' ' 142' ' ' ARG . 62.8 tp 173.98 -63.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.273 1.429 . . . . 70.23 107.702 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.338 -1.315 . . . . 73.2 108.885 -175.336 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.639 -0.584 . . . . 63.11 111.639 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 20.9 p -67.63 110.75 3.84 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.296 0.638 . . . . 61.44 111.186 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.74 122.29 4.75 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.49 0.716 . . . . 72.43 110.224 173.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.0 t -135.17 -36.51 0.81 Allowed 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.627 0.771 . . . . 72.54 109.836 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.33 158.92 0.16 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.149 1.379 . . . . 71.23 111.172 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 23.0 t -130.51 125.99 35.71 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.251 -1.389 . . . . 74.52 107.251 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -123.83 96.43 0.53 Allowed Glycine 0 C--N 1.344 1.008 0 O-C-N 123.454 0.471 . . . . 65.1 112.351 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 89.6 mtp -83.36 155.63 23.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.241 -1.022 . . . . 75.13 108.241 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 64.75 30.48 12.35 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.793 0.837 . . . . 73.5 110.403 -170.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 742' ' ' SER . . . . . 0.6 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 23.0 t -69.52 -12.47 61.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.094 -0.957 . . . . 30.14 112.445 -175.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -40.22 64.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.184 0.593 . . . . 62.23 110.07 168.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.8 6.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.747 -0.661 . . . . 74.15 110.899 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.6 ' HB3' ' HA ' ' C' ' 742' ' ' SER . 23.8 t70 -59.25 -54.97 40.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.501 1.121 . . . . 75.15 112.4 -171.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -44.72 -51.7 9.03 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.301 1.041 . . . . 63.12 112.13 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.95 -49.27 38.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.707 -1.133 . . . . 75.03 112.27 -168.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.66 -35.87 77.29 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.789 0.68 . . . . 64.34 110.646 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.43 -40.25 64.38 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 111.82 0.304 . . . . 64.14 111.82 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.81 -26.7 44.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.277 0.231 . . . . 73.52 110.839 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.448 ' HG ' ' HE2' ' C' ' 798' ' ' TYR . 2.8 mp -65.99 -47.72 73.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.04 0.536 . . . . 63.03 109.786 169.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.75 -37.21 86.5 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.829 0.705 . . . . 72.41 109.519 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -44.93 83.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.46 0.704 . . . . 72.23 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.631 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 21.0 m-30 -59.27 -41.68 89.44 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.697 0.623 . . . . 63.25 110.023 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.411 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 32.1 t-105 -68.29 -29.38 68.14 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.121 -0.945 . . . . 74.52 111.092 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 86.0 m -67.62 -38.03 83.35 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.261 0.482 . . . . 42.41 110.001 174.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.631 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 45.3 m-85 -62.64 -55.89 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.862 -0.422 . . . . 72.13 109.862 175.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.818 HD11 HD11 ' C' ' 777' ' ' LEU . 47.9 mt -64.16 -42.72 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.038 0.935 . . . . 65.34 111.296 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.48 -55.43 15.62 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.897 -0.779 . . . . 72.45 108.897 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -67.16 -26.48 66.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.771 0.669 . . . . 75.35 112.792 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.554 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.7 ppp? -75.06 -52.33 11.31 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.564 -0.902 . . . . 71.32 108.564 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.44 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 80.8 mt -68.82 -13.5 62.45 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.811 0.845 . . . . 74.21 113.013 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 50.5 m -53.96 -34.01 58.51 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.415 1.086 . . . . 64.41 110.544 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' B' ' 108' ' ' VAL . 1.9 p30 -123.21 -38.12 2.62 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.254 1.422 . . . . 63.04 110.294 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' C' ' 761' ' ' MET . 53.5 mt -83.7 46.78 1.2 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.789 1.235 . . . . 72.45 110.838 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 0.1 OUTLIER -66.47 93.57 0.24 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.627 -0.715 . . . . 70.41 109.338 -178.028 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 767' ' ' SER . . . . . 0.409 ' O ' HD23 ' C' ' 768' ' ' LEU . 64.9 m 119.06 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 128.017 2.527 . . . . 63.33 111.132 169.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.46 ' HB3' ' HD2' ' C' ' 772' ' ' ARG . 54.9 mt -128.35 143.85 51.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.02 0.528 . . . . 73.13 110.523 175.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 49.1 m -60.08 151.64 26.16 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.816 0.846 . . . . 71.05 111.85 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.33 -23.11 63.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 114.8 -1.091 . . . . 74.11 111.644 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.72 -51.55 65.24 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.061 0.545 . . . . 64.14 111.02 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.46 ' HD2' ' HB3' ' C' ' 768' ' ' LEU . 62.7 mtt180 -61.53 -56.65 17.66 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.913 0.885 . . . . 71.13 110.919 -176.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -38.44 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 115.457 -0.792 . . . . 62.32 111.327 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 64.9 t80 -63.07 -45.99 89.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.524 0.33 . . . . 75.3 110.205 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.2 -41.19 92.45 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 123.694 0.621 . . . . 73.54 111.32 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 28.4 mtm -64.63 -52.44 57.41 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.534 0.521 . . . . 55.11 110.368 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.818 HD11 HD11 ' C' ' 758' ' ' ILE . 26.4 mt -53.79 -39.65 65.64 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.242 0.617 . . . . 74.34 111.195 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.9 tpt180 -67.16 -43.35 82.51 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.081 -0.963 . . . . 70.14 110.106 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -54.34 38.59 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 123.721 0.638 . . . . 73.0 110.095 171.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.19 -23.03 61.96 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.57 HG11 HG12 ' C' ' 790' ' ' ILE . 2.2 p -84.35 -33.45 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.124 0.17 . . . . 75.31 110.915 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.76 -26.14 6.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 C-N-CA 122.239 0.216 . . . . 72.42 111.462 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 14.7 p -70.01 -21.8 63.17 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 111.947 0.351 . . . . 73.25 111.947 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -122.46 179.9 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.233 -0.747 . . . . 71.41 111.233 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.95 8.02 4.29 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.822 2.348 . . . . 64.33 112.954 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -44.65 111.42 0.31 Allowed 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.121 1.768 . . . . 61.21 113.518 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 17.9 mt 60.83 9.96 2.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.294 1.038 . . . . 71.12 113.706 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 57.38 38.66 28.48 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.886 0.874 . . . . 32.31 111.094 -170.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 72.23 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.04 1.736 . . . . 62.43 111.805 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.57 HG12 HG11 ' C' ' 781' ' ' VAL . 2.7 pt -69.67 167.73 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.628 1.171 . . . . 62.33 111.438 173.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.58 166.9 17.15 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.009 -0.996 . . . . 61.13 108.468 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.36 -38.89 92.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.864 0.865 . . . . 65.11 112.138 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.68 -36.02 82.93 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.076 0.465 . . . . 72.25 110.388 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.71 -35.68 51.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.172 -0.922 . . . . 61.04 109.813 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.563 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.76 -57.61 7.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.989 1.316 . . . . 71.44 109.374 177.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -60.93 -41.43 96.17 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.656 -1.611 . . . . 71.54 110.189 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.0 92.76 Favored Glycine 0 C--N 1.345 1.067 0 O-C-N 124.188 0.93 . . . . 55.24 113.473 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.448 ' HE2' ' HG ' ' C' ' 751' ' ' LEU . 16.9 t80 -64.09 -53.43 49.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.59 0.71 . . . . 62.43 110.117 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.45 ' O ' HG23 ' C' ' 803' ' ' VAL . 15.4 mt -64.65 -33.17 75.32 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.619 -1.173 . . . . 55.05 111.768 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 800' ' ' GLN . . . . . 0.522 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 10.8 tt0 -59.33 -52.85 63.88 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 124.314 1.009 . . . . 65.13 108.637 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.32 85.58 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 124.292 0.995 . . . . 50.51 110.705 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 2.5 mptp? -59.27 -43.8 92.49 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.216 0.947 . . . . 52.13 112.536 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 799' ' ' LEU . 72.9 t -61.1 -43.1 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 118.507 0.594 . . . . 74.13 110.382 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 804' ' ' ARG . . . . . 0.522 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 10.9 mpt_? -74.64 -18.13 60.59 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.3 1.04 . . . . 73.33 111.767 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.87 -6.96 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.218 1.007 . . . . 72.23 109.896 175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 66.61 14.01 9.57 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.882 1.673 . . . . 62.13 111.16 -171.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -80.57 -26.84 37.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.292 1.437 . . . . 71.32 111.192 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.646 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.3 OUTLIER -123.88 143.25 50.47 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.869 0.868 . . . . 65.13 110.034 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 809' ' ' VAL . . . . . 0.61 ' HB ' ' HG3' ' C' ' 816' ' ' ARG . 78.7 t -108.47 133.34 53.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 107.761 -1.2 . . . . 75.43 107.761 164.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -113.0 111.26 21.87 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.977 -1.12 . . . . 64.34 107.977 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -88.54 -147.53 0.16 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.181 -1.044 . . . . 75.54 108.181 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.88 77.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.974 0.806 . . . . 75.2 110.794 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.79 15.27 79.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.703 -0.68 . . . . 73.4 113.658 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 20.1 m -126.13 141.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.111 0.564 . . . . 72.51 109.722 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -96.39 143.52 27.36 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.219 0.607 . . . . 71.01 110.585 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.668 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 2.8 ptp180 -151.93 141.33 21.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.862 -1.063 . . . . 73.03 108.413 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 95.0 mt -81.08 131.0 60.71 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 108.805 -0.813 . . . . 75.33 108.805 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 818' ' ' PRO . . . . . 0.442 ' HD3' HG23 ' C' ' 809' ' ' VAL . 8.9 Cg_endo -56.01 -37.26 96.43 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.081 2.521 . . . . 61.31 112.243 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 60.71 -162.83 0.26 Allowed 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.552 1.158 . . . . 62.34 110.646 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 46.78 -159.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.674 1.589 . . . . 74.1 113.59 172.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 93.7 m -132.52 119.27 20.33 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.033 0.933 . . . . 71.43 108.504 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 123.418 0.687 . . . . 72.3 109.265 177.065 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 110.921 -0.871 . . . . 53.42 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.86 158.6 44.29 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 14.4 mp0 -107.45 167.56 9.85 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.233 0.469 . . . . 70.12 111.592 -171.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' B' ' 165' ' ' SER . 21.5 pt -142.09 161.44 20.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 C-N-CA 123.899 0.88 . . . . 75.32 110.031 171.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' HD23 ' B' ' 167' ' ' LEU . 38.1 m-85 -119.11 110.51 17.15 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 124.344 1.058 . . . . 73.31 109.463 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 55.8 t -93.47 96.69 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.714 -0.847 . . . . 74.32 108.714 -174.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 5.8 m-20 -75.32 96.41 3.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.89 0.876 . . . . 63.42 108.875 -175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.447 HG23 ' HB2' ' B' ' 111' ' ' LYS . 7.8 t -91.64 110.31 21.63 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.258 -0.645 . . . . 74.14 109.258 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.501 HG21 HD12 ' C' ' 765' ' ' LEU . 7.2 p -111.96 133.33 57.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.477 0.656 . . . . 53.32 110.377 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -101.71 93.78 5.51 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.204 -1.406 . . . . 54.11 107.204 169.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -104.2 103.87 13.7 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 106.401 -1.703 . . . . 75.05 106.401 167.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -161.03 139.04 9.52 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.657 0.598 . . . . 74.32 111.602 -167.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 4.0 m -85.4 124.57 32.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.774 0.829 . . . . 55.45 109.669 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 44.5 mm -95.19 141.82 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -111.09 121.89 46.49 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.255 -0.646 . . . . 74.54 109.255 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 HG23 ' B' ' 105' ' ' VAL . 1.2 pt? -137.53 166.85 22.9 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.77 0.828 . . . . 34.52 108.839 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.64 148.89 30.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.385 0.674 . . . . 55.12 109.57 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.93 162.76 2.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.743 -1.117 . . . . 70.15 108.16 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.06 151.08 57.84 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 109.067 -0.716 . . . . 61.34 109.067 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.62 -23.52 76.01 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.603 2.202 . . . . 64.53 112.934 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -80.87 -12.23 59.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.307 0.643 . . . . 41.11 112.712 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.35 158.85 33.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.616 0.366 . . . . 70.24 110.687 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 1.6 p -88.41 165.07 15.19 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.455 0.702 . . . . 65.33 110.812 169.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 50' ' ' LEU . 34.1 mm -74.56 -26.55 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-N 115.4 -0.818 . . . . 73.13 110.179 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.79 -30.1 71.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.037 0.535 . . . . 71.23 110.399 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 37.7 t30 -57.46 -48.78 78.28 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 123.633 0.583 . . . . 73.03 109.621 171.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.26 -42.3 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 C-N-CA 123.933 0.893 . . . . 64.11 111.011 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -64.95 -33.87 77.07 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 120.961 0.41 . . . . 74.33 110.024 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.71 64.61 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.795 -0.639 . . . . 73.21 111.498 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 74.1 mmtt -64.93 -50.07 67.93 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.112 0.565 . . . . 72.13 109.873 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.563 HG21 HD11 ' A' ' 69' ' ' LEU . 2.6 pp -69.63 -32.12 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 122.316 0.246 . . . . 72.51 111.232 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -65.81 -42.84 90.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.853 0.359 . . . . 73.42 111.083 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.17 -46.35 56.74 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.489 -0.778 . . . . 74.43 111.256 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -90.8 -50.91 5.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.895 -1.048 . . . . 72.42 111.723 -170.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.655 ' HG2' HG21 ' B' ' 107' ' ' THR . 2.7 mp0 -85.97 -29.38 23.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.325 -0.25 . . . . 71.52 110.325 -176.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.95 30.91 21.99 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.088 0.242 . . . . 74.12 113.215 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 HD13 ' A' ' 69' ' ' LEU . 48.8 mt -92.64 120.13 67.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 123.415 0.686 . . . . 75.13 110.041 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -61.22 121.22 9.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.124 2.549 . . . . 70.24 111.962 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 19.4 Cg_endo -55.48 -32.52 82.72 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.953 3.102 . . . . 65.43 113.687 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.19 -44.13 96.26 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 124.217 0.948 . . . . 63.33 111.672 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -79.88 -14.58 58.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.346 0.658 . . . . 72.11 111.642 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -85.97 139.78 30.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.393 1.477 . . . . 73.12 110.762 -177.111 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -146.32 97.77 2.98 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.098 0.959 . . . . 75.02 108.864 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -77.62 129.19 35.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.223 1.009 . . . . 73.05 110.091 -178.468 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -128.87 136.57 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 N-CA-C 108.859 -0.793 . . . . 63.34 108.859 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 50' ' ' LEU . 11.0 t80 -129.22 119.69 24.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.289 1.436 . . . . 71.11 108.24 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 18.62 7.71 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.273 0.983 . . . . 65.01 112.643 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.02 14.92 53.97 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.236 0.454 . . . . 34.03 114.236 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -125.87 130.28 51.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.765 0.826 . . . . 61.5 110.079 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -72.27 140.58 48.68 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.369 0.668 . . . . 75.31 111.484 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.52 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.8 mm? -97.82 98.01 9.47 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.241 1.016 . . . . 54.41 108.717 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -82.82 129.04 34.94 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.84 -0.8 . . . . 61.34 108.84 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.7 p-10 -59.87 -27.46 66.7 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.982 1.313 . . . . 74.11 113.765 -165.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -2.1 81.54 Favored Glycine 0 N--CA 1.471 1.027 0 N-CA-C 114.254 0.461 . . . . 53.52 114.254 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.61 178.45 7.06 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.353 0.661 . . . . 73.22 110.565 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 19.8 m -110.54 156.94 20.2 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.873 1.269 . . . . 61.4 109.023 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 HD13 ' A' ' 23' ' ' ILE . 3.7 mm? -61.24 -40.35 93.7 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.075 0.55 . . . . 71.22 109.824 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 t -63.81 -30.92 71.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.868 0.867 . . . . 74.11 112.091 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.99 -28.08 68.76 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.261 0.625 . . . . 64.34 110.837 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -100.02 -7.42 25.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.331 0.652 . . . . 72.31 111.438 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 54.85 43.84 29.35 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.995 0.918 . . . . 53.23 110.73 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG13 HD13 ' A' ' 56' ' ' LEU . 5.3 mm -55.94 126.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.023 0.929 . . . . 74.22 110.953 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -94.36 178.47 5.61 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.894 0.878 . . . . 62.25 110.109 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -87.11 161.73 17.95 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 109.688 -0.486 . . . . 75.01 109.688 169.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 40.85 31.07 0.11 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.987 2.115 . . . . 74.43 113.735 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.442 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.3 m -76.86 133.3 39.36 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.225 -0.898 . . . . 53.12 110.429 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.88 110.38 22.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.567 0.699 . . . . 62.4 110.029 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.2 mp -109.69 165.02 12.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.101 1.36 . . . . 74.44 107.536 175.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.0 tt -140.55 134.24 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.479 0.657 . . . . 71.43 111.43 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.778 HD12 HG22 ' B' ' 107' ' ' THR . 45.4 mt -87.78 116.04 25.65 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.739 -1.119 . . . . 64.12 108.64 168.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' HB3' ' HB1' ' C' ' 760' ' ' ALA . 82.7 mt -94.33 141.71 28.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.766 -1.198 . . . . 70.22 107.766 173.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 tp -85.96 162.48 18.52 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.031 -0.729 . . . . 74.25 109.031 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -35.52 100.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.661 1.184 . . . . 70.21 113.404 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' C' ' 760' ' ' ALA . 0.3 OUTLIER -74.38 -36.08 63.52 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.039 -0.982 . . . . 74.13 109.476 166.103 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.117 1.367 . . . . 62.34 108.898 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 110.914 -0.874 . . . . 62.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.77 145.0 30.73 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.848 -0.797 . . . . 73.25 108.848 173.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.1 122.73 47.48 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.303 -0.999 . . . . 71.14 108.303 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.28 160.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.186 0.595 . . . . 74.2 110.903 -170.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 45.0 m-85 -110.94 108.17 17.85 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 108.543 -0.91 . . . . 74.3 108.543 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.538 HG23 HD21 ' A' ' 15' ' ' LEU . 97.5 t -106.99 108.63 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 107.976 -1.12 . . . . 71.25 107.976 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 5.4 t0 -70.96 145.76 49.89 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.059 -0.348 . . . . 62.45 110.059 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.778 HG22 HD12 ' A' ' 69' ' ' LEU . 66.6 p -133.6 138.06 45.78 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 123.457 0.703 . . . . 62.32 110.654 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.445 HG23 HD13 ' C' ' 765' ' ' LEU . 6.0 p -115.4 127.18 73.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 O-C-N 124.677 1.235 . . . . 63.43 108.814 167.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -141.09 85.88 2.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.528 -0.545 . . . . 75.32 109.528 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -86.89 134.92 33.48 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.841 -0.8 . . . . 75.11 108.841 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.447 ' HB2' HG23 ' A' ' 7' ' ' THR . 99.0 mttt -141.99 153.52 44.34 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.173 1.389 . . . . 70.12 108.343 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.3 m -116.27 117.16 29.22 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.278 -0.638 . . . . 75.23 109.278 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 55.8 mt -91.39 157.99 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.369 -0.974 . . . . 61.12 108.369 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 63.9 m -137.98 125.76 22.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.631 0.772 . . . . 71.33 109.519 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' B' ' 129' ' ' LYS . 0.7 OUTLIER -141.71 166.77 23.82 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.248 -0.649 . . . . 74.11 109.248 173.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 29.5 tt0 -108.27 139.47 42.91 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.637 -0.875 . . . . 72.51 108.637 168.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 170.52 11.82 Favored 'Isoleucine or valine' 0 C--O 1.248 1.007 0 C-N-CA 125.483 1.513 . . . . 74.04 109.649 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -113.66 142.3 27.45 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 109.167 -0.679 . . . . 74.11 109.167 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.75 -32.02 38.32 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 123.093 2.529 . . . . 74.22 111.773 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -78.79 -16.8 56.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.264 1.026 . . . . 73.2 111.729 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 157.34 23.42 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.923 0.489 . . . . 62.13 110.653 -176.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -84.17 165.5 18.38 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.145 -0.934 . . . . 71.41 111.422 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 39.9 mm -70.51 -21.53 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.349 -0.842 . . . . 63.41 110.092 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.576 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 11.6 pt-20 -58.26 -30.89 66.93 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.848 0.459 . . . . 75.02 110.735 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -65.61 -43.67 88.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 64.31 110.866 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.5 -50.0 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.387 0.675 . . . . 65.42 110.063 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 53.3 pttt -64.81 -40.38 95.11 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 120.914 0.387 . . . . 74.31 110.887 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.13 88.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 115.556 -0.747 . . . . 71.33 110.639 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.787 ' HD3' HD13 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -71.9 -40.98 68.48 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 123.442 0.463 . . . . 72.42 111.413 -177.616 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.454 ' HB ' HD12 ' B' ' 136' ' ' ILE . 27.8 pt -66.3 -39.37 84.03 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 CA-C-N 118.004 0.366 . . . . 52.5 110.068 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.87 -47.02 73.18 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.585 0.354 . . . . 71.45 111.451 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.28 -52.47 53.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.093 0.957 . . . . 62.14 111.153 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' B' ' 134' ' ' GLU . 75.9 mmtt -82.16 -56.75 3.74 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.761 -1.109 . . . . 71.12 110.521 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' B' ' 133' ' ' LYS . 55.1 mt-10 -102.89 -4.89 24.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.84 -0.618 . . . . 73.43 111.457 -160.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.4 38.19 90.94 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.569 0.543 . . . . 45.42 113.656 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB ' ' B' ' 130' ' ' ILE . 67.5 mt -99.43 103.0 18.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.361 1.064 . . . . 53.54 108.915 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -72.94 109.82 2.9 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.871 2.38 . . . . 65.01 111.255 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.621 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.8 Cg_endo -57.2 -40.03 85.92 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.663 2.909 . . . . 62.24 114.04 -172.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.07 -39.17 75.79 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.262 -0.881 . . . . 62.25 110.747 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -77.99 -11.85 59.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.858 0.863 . . . . 75.42 110.824 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -110.57 171.27 7.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.997 0.519 . . . . 63.33 110.126 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.68 ' HB2' ' HB2' ' B' ' 170' ' ' LEU . 11.2 mmm180 -124.76 104.45 8.65 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.428 -1.693 . . . . 62.31 106.428 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.47 99.86 3.69 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.12 -1.437 . . . . 72.43 107.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.13 118.7 37.28 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.336 0.654 . . . . 52.22 109.38 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.593 ' HB2' HD21 ' B' ' 150' ' ' LEU . 57.2 t80 -110.94 101.99 10.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.443 0.697 . . . . 75.14 109.253 -176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.51 29.27 8.79 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.388 0.675 . . . . 71.31 112.509 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.45 60.17 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 115.078 0.791 . . . . 63.22 115.078 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -127.02 122.18 33.72 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.138 0.969 . . . . 54.41 109.799 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -76.01 147.56 38.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.569 0.348 . . . . 54.12 110.937 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.0 OUTLIER -91.77 124.03 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.097 0.559 . . . . 74.44 110.047 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.659 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 3.3 mp0 -79.6 133.75 36.44 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 107.288 -1.375 . . . . 75.34 107.288 167.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -58.7 -31.0 67.84 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.779 0.832 . . . . 75.05 112.83 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.02 -1.99 90.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.821 -0.627 . . . . 64.43 114.067 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.659 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 15.9 mmt85 -82.12 176.14 9.75 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 117.15 0.475 . . . . 65.4 110.116 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.4 m -105.74 162.25 13.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.918 0.887 . . . . 72.04 109.102 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.481 ' O ' HG12 ' B' ' 161' ' ' ILE . 4.1 mm? -64.49 -49.39 71.53 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 109.387 -0.597 . . . . 71.32 109.387 172.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.8 t -60.45 -24.43 65.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.28 0.632 . . . . 74.31 112.686 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.5 -38.04 58.68 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.733 0.813 . . . . 75.51 110.976 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -97.36 -10.04 26.32 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.029 -0.987 . . . . 62.14 111.791 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.77 64.58 1.27 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 122.129 0.966 . . . . 73.11 109.355 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.481 HG12 ' O ' ' B' ' 156' ' ' LEU . 11.7 mm -73.55 121.64 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 114.526 -1.215 . . . . 74.53 109.813 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.16 150.79 23.72 Favored 'General case' 0 C--O 1.25 1.131 0 CA-C-O 121.581 0.705 . . . . 71.52 110.122 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -62.68 129.43 40.51 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 115.887 -0.597 . . . . 63.35 109.64 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 69.51 33.1 3.2 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.476 1.11 . . . . 73.43 110.118 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.583 ' HB2' HG22 ' A' ' 3' ' ' ILE . 69.0 m -55.1 162.6 1.31 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.098 0.407 . . . . 55.45 112.098 161.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.12 133.36 46.59 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.489 0.716 . . . . 72.41 109.305 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' B' ' 145' ' ' PHE . 1.8 pt? -144.79 128.51 17.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.535 0.734 . . . . 71.01 110.752 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 34.3 pt -95.23 140.08 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 115.391 -0.822 . . . . 75.43 110.429 -172.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.448 HD11 HD13 ' B' ' 136' ' ' ILE . 78.3 mt -86.7 115.76 24.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.912 -1.04 . . . . 44.54 109.579 170.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.68 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 84.1 mt -95.33 159.56 14.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.812 -1.181 . . . . 71.03 107.812 168.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.82 170.17 16.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.254 0.479 . . . . 72.14 110.333 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 3.1 t -38.19 117.06 0.58 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.01 1.324 . . . . 54.24 112.72 171.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 36.0 tp 73.45 -61.06 0.51 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.802 1.641 . . . . 65.22 110.369 -171.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 C--O 1.248 1.018 0 C-N-CA 124.55 1.14 . . . . 73.12 109.457 -177.568 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.26 -0.336 . . . . 33.51 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 69.7 p -152.92 112.0 3.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.649 0.78 . . . . 45.43 109.261 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -82.94 131.06 35.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.668 0.387 . . . . 53.41 110.02 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 50.3 m -109.66 -8.34 14.97 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.361 1.064 . . . . 71.11 110.723 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 32.8 t70 58.87 -98.68 0.09 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.515 1.126 . . . . 54.42 110.043 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 57.2 p 170.0 -54.57 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.06 1.344 . . . . 72.04 108.641 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.05 75.21 0.83 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 114.708 -1.133 . . . . 55.25 111.018 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 20.9 ptm -64.79 124.18 21.3 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.063 0.764 . . . . 71.04 113.063 -167.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -134.77 -14.63 2.13 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.97 1.308 . . . . 65.31 110.731 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 8.6 t 66.6 17.21 10.58 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 125.675 1.59 . . . . 62.24 112.608 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.26 -53.53 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.426 0.69 . . . . 74.03 111.976 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.02 -15.31 61.09 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.536 0.734 . . . . 52.13 111.98 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.5 -63.13 1.2 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.298 1.439 . . . . 64.33 111.028 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -51.68 -39.07 57.6 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.895 1.372 . . . . 72.11 111.622 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 41.1 mtpt -68.46 -63.08 1.13 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.476 0.71 . . . . 73.2 111.035 -173.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.64 -42.7 97.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.22 -0.9 . . . . 73.21 111.17 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.52 -41.71 96.22 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.043 0.839 . . . . 74.21 110.126 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -57.79 -51.45 69.54 Favored 'General case' 0 C--N 1.368 1.413 0 O-C-N 123.59 0.556 . . . . 64.21 110.942 173.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 67.9 mt -60.52 -40.78 92.7 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.739 0.649 . . . . 64.42 110.976 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.63 -36.54 78.75 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.992 -1.004 . . . . 72.41 109.346 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -76.09 -36.78 58.79 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.122 0.969 . . . . 75.23 110.417 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.51 -43.01 99.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.122 0.969 . . . . 71.03 108.71 172.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.41 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 34.9 t-105 -67.46 -33.39 75.04 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.28 -1.327 . . . . 75.14 110.958 175.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -64.24 -36.35 83.79 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.89 0.476 . . . . 74.45 109.817 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -61.06 -61.42 2.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.782 0.433 . . . . 72.15 111.057 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.23 -31.63 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 72.23 111.575 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -74.15 -49.71 22.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.674 0.79 . . . . 73.12 109.503 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -67.55 -27.56 67.06 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 60.53 112.639 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 20.0 ptm -78.84 -59.53 2.74 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.264 -1.013 . . . . 71.22 108.264 172.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.864 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 16.4 mt -64.19 -16.3 61.66 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.096 1.147 . . . . 74.32 114.096 -172.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.536 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.1 t -68.11 -17.99 64.52 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.25 0.548 . . . . 75.15 111.848 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' B' ' 108' ' ' VAL . 2.2 p-10 -133.51 -44.83 0.82 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.99 0.916 . . . . 63.0 109.736 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.543 HD23 HD11 ' C' ' 768' ' ' LEU . 11.4 tp -80.18 57.15 2.64 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 126.675 1.99 . . . . 75.4 108.59 175.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' C' ' 766' ' ' GLU . 9.3 pt-20 -85.49 48.87 1.65 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.489 1.516 . . . . 74.53 112.612 -168.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 67.6 m -167.93 83.14 0.19 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.617 1.167 . . . . 62.11 108.827 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.543 HD11 HD23 ' C' ' 765' ' ' LEU . 90.1 mt -132.05 141.49 49.23 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.641 0.608 . . . . 64.34 112.641 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.3 m -78.18 147.46 34.49 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 115.528 -0.76 . . . . 61.1 109.164 166.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.429 HD11 HD12 ' C' ' 795' ' ' LEU . 20.4 tp -60.96 -31.42 70.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.919 0.888 . . . . 71.22 111.153 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.32 -52.55 61.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.87 0.868 . . . . 74.1 110.715 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -52.11 -56.66 13.09 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.367 1.042 . . . . 74.12 111.157 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.435 HD11 HD21 ' C' ' 799' ' ' LEU . 2.3 pp -75.55 -25.35 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.044 -0.98 . . . . 71.24 111.446 -171.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.571 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 37.4 t80 -62.95 -52.22 63.86 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.297 -0.631 . . . . 74.35 109.297 170.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.35 -38.28 86.39 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 124.023 0.827 . . . . 64.12 111.328 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 81.0 mtp -63.78 -56.0 18.86 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.842 0.457 . . . . 74.22 110.61 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.73 -29.47 66.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.05 0.54 . . . . 74.53 111.671 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.66 -43.51 80.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.108 0.963 . . . . 73.33 109.696 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tpt -58.3 -51.2 70.8 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.619 0.768 . . . . 65.13 110.747 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -70.61 -29.35 65.72 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.639 0.375 . . . . 74.21 111.85 -173.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 5.7 p -80.53 -32.81 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-O 119.621 -0.228 . . . . 72.11 110.527 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.32 -30.81 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 118.191 0.45 . . . . 71.14 110.676 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 22.5 p -77.26 -20.25 55.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.49 0.316 . . . . 75.42 111.796 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -124.05 97.35 0.55 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.469 -1.053 . . . . 54.43 110.469 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 8.28 0.22 Allowed 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.588 2.859 . . . . 73.22 115.378 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.7 65.03 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.938 1.295 . . . . 63.22 112.514 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 787' ' ' LEU . . . . . 0.451 HD21 HD21 ' C' ' 751' ' ' LEU . 5.2 mp -104.44 6.25 34.79 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 62.0 111.901 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.24 -77.24 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.069 . . . . 51.34 111.715 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.61 112.31 1.43 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.293 0.637 . . . . 75.45 109.486 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 11.8 pt -70.83 161.08 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.984 -0.448 . . . . 74.33 109.861 172.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -126.96 171.9 10.92 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.567 0.747 . . . . 61.22 109.013 -173.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.37 -38.46 71.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.832 0.853 . . . . 74.22 111.938 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -33.01 72.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.012 0.525 . . . . 72.34 111.71 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -77.77 -37.89 47.97 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.648 0.779 . . . . 73.12 109.922 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.571 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -71.35 -50.65 30.13 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.585 1.154 . . . . 70.54 109.394 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -58.34 -40.35 81.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.592 1.157 . . . . 72.32 110.402 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -56.44 -43.73 90.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.25 0.969 . . . . 62.03 113.07 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.3 t80 -62.38 -46.72 87.34 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.366 0.666 . . . . 73.02 110.598 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.435 HD21 HD11 ' C' ' 773' ' ' ILE . 3.9 mm? -65.75 -47.47 75.12 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.523 -0.762 . . . . 74.33 112.461 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -65.04 -32.89 74.83 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.717 -0.475 . . . . 64.43 109.717 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -56.15 -61.71 2.21 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 123.879 0.737 . . . . 70.33 109.737 167.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.465 ' HD2' ' HG2' ' C' ' 807' ' ' GLN . 74.9 mmtt -55.42 -38.2 68.64 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.286 0.847 . . . . 71.54 113.286 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.61 -47.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 109.717 -0.475 . . . . 75.05 109.717 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.35 -8.92 58.99 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.927 -0.579 . . . . 74.21 112.419 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.55 -2.75 55.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.023 0.929 . . . . 73.22 111.327 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 67.28 13.68 9.46 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 125.583 1.553 . . . . 65.32 111.9 -175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 807' ' ' GLN . . . . . 0.465 ' HG2' ' HD2' ' C' ' 802' ' ' LYS . 6.2 tp-100 -83.26 -25.91 31.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.803 1.241 . . . . 41.22 110.59 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.77 142.13 51.09 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.95 0.9 . . . . 50.43 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.64 139.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.227 1.011 . . . . 72.14 109.19 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.96 114.61 27.16 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 124.738 1.215 . . . . 74.21 108.987 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 36.3 t -91.78 -145.41 0.2 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.27 -1.011 . . . . 71.52 108.27 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.08 76.5 0.94 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.548 0.613 . . . . 73.14 110.897 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.21 14.5 81.83 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 115.482 -0.781 . . . . 62.24 113.667 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.0 146.56 31.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 122.909 0.484 . . . . 62.35 110.48 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -100.52 149.65 23.48 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 123.736 0.814 . . . . 55.15 110.82 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.573 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.0 OUTLIER -156.75 135.91 11.99 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.353 -0.84 . . . . 75.1 108.783 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.864 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 9.0 tp -73.99 118.77 72.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-O 118.879 -0.582 . . . . 63.42 110.022 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.82 -53.78 2.94 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.699 2.266 . . . . 61.41 111.01 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 819' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' C' ' 763' ' ' THR . 59.1 mtpt 73.21 -52.55 0.7 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.809 1.643 . . . . 73.23 111.248 -177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -67.78 121.79 16.73 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.052 0.541 . . . . 62.02 109.735 165.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.74 87.62 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.364 0.665 . . . . 74.25 109.518 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.247 0.933 0 N-CA-C 108.309 -0.997 . . . . 53.03 108.309 -176.633 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.132 -0.387 . . . . 51.14 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.78 153.08 35.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.433 0.693 . . . . 73.31 109.215 -175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -110.95 126.32 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.301 -1.0 . . . . 63.21 108.301 -173.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -118.45 157.2 20.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 121.559 0.695 . . . . 74.22 110.129 -170.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.2 m-85 -105.76 118.49 36.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.598 -1.183 . . . . 71.21 108.51 177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG23 HD21 ' B' ' 115' ' ' LEU . 65.5 t -100.31 91.65 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.81 -1.552 . . . . 75.42 106.81 173.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' B' ' 112' ' ' THR . 23.0 t0 -93.9 102.64 14.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.486 -1.234 . . . . 71.15 109.11 -174.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -90.26 133.84 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.856 0.36 . . . . 73.11 110.575 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -92.99 131.12 40.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 108.754 -0.832 . . . . 63.32 108.754 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.79 111.47 8.71 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.06 -1.829 . . . . 61.0 106.06 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.65 ' HE1' HG22 ' B' ' 108' ' ' VAL . 0.0 OUTLIER -81.15 104.19 11.46 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.62 -1.252 . . . . 74.15 107.62 177.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -106.8 109.02 20.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.988 0.915 . . . . 72.44 110.142 -168.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -78.13 113.79 16.4 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 109.515 -0.55 . . . . 72.13 109.515 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 41.3 mm -94.47 145.9 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 124.193 0.997 . . . . 71.42 109.747 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.1 m -108.97 128.23 54.76 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.051 -0.722 . . . . 70.31 109.051 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.676 HD23 ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -147.84 147.46 29.82 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.558 0.743 . . . . 73.45 109.706 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 40.3 tt0 -92.05 147.33 23.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.952 0.406 . . . . 65.34 110.05 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -150.28 170.81 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 125.543 1.537 . . . . 64.31 107.791 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -127.11 149.81 70.45 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.574 -0.704 . . . . 62.04 110.397 -174.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.96 -23.72 46.63 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.237 1.958 . . . . 73.11 112.924 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 m -77.28 -21.41 53.66 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.821 0.7 . . . . 71.24 112.359 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.52 158.21 15.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.761 0.255 . . . . 54.24 110.899 -172.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -78.02 162.72 26.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 63.12 111.399 176.197 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 50' ' ' LEU . 32.7 mm -59.55 -26.7 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.193 0.997 . . . . 61.42 110.87 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.87 -22.23 47.09 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.234 -0.894 . . . . 65.22 112.234 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.39 -50.77 50.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.69 0.796 . . . . 74.4 110.781 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.82 -48.27 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.614 -0.884 . . . . 74.31 108.614 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.71 -54.89 16.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.703 -1.589 . . . . 73.41 111.557 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.89 74.07 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.269 -0.878 . . . . 64.52 111.675 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HD2' HD23 ' A' ' 15' ' ' LEU . 16.6 ptpt -76.71 -39.99 50.17 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 123.351 0.407 . . . . 75.35 111.601 -176.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.614 ' HB ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -67.68 -37.87 79.39 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 109.403 -0.591 . . . . 74.04 109.403 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -63.43 -47.1 83.33 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.879 -1.055 . . . . 71.44 111.239 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.93 -51.33 33.8 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.826 0.85 . . . . 65.34 110.933 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -77.37 -36.91 53.13 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.01 -0.995 . . . . 73.32 112.567 -171.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.51 -0.98 8.61 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.836 1.05 . . . . 72.43 113.836 -173.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.09 28.69 72.66 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 121.777 -0.249 . . . . 74.12 113.165 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.614 HD12 ' HB ' ' A' ' 30' ' ' ILE . 46.2 mt -80.44 111.71 25.01 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 108.722 -0.844 . . . . 71.24 108.722 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.75 104.2 1.83 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.04 2.493 . . . . 73.41 112.676 -170.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.78 -31.47 20.37 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.611 2.207 . . . . 53.52 114.235 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.53 -24.09 67.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.069 0.548 . . . . 63.52 110.176 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -109.33 0.02 19.31 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.2 1.0 . . . . 74.24 111.176 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -118.97 106.83 12.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.113 0.965 . . . . 74.52 109.748 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 70' ' ' LEU . 13.8 ptm180 -80.07 105.46 11.36 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.269 0.557 . . . . 72.21 109.637 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.8 mp -79.99 138.06 36.97 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.139 -0.689 . . . . 62.05 109.139 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -138.26 146.93 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 108.966 -0.753 . . . . 74.35 108.966 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.81 97.95 4.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.848 1.259 . . . . 74.02 108.575 -177.12 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.06 30.99 17.26 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.526 0.73 . . . . 72.12 112.244 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.44 17.01 40.9 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 114.798 -1.092 . . . . 63.3 114.568 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -119.0 112.87 20.12 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 117.759 0.779 . . . . 74.14 109.288 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -70.68 133.87 47.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.069 0.548 . . . . 74.1 110.077 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.625 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 mt -94.26 117.36 30.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.172 0.589 . . . . 63.31 111.45 -171.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -104.55 129.3 52.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.391 1.076 . . . . 74.1 108.739 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 39.9 m-20 -56.53 -36.3 69.07 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.521 1.129 . . . . 75.42 113.772 -168.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.35 -14.69 77.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 123.57 0.544 . . . . 75.24 113.751 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 37.0 ttm180 -92.99 165.4 12.88 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.218 1.007 . . . . 73.32 108.393 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 10.0 m -103.77 157.69 16.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.916 0.486 . . . . 73.03 111.566 -167.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 23' ' ' ILE . 4.0 mm? -61.49 -45.82 92.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.412 1.085 . . . . 75.5 110.582 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 t -68.04 -24.07 65.04 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.517 0.562 . . . . 75.42 112.517 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.61 -31.99 71.13 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.002 0.521 . . . . 55.02 111.016 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.43 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 95.6 m-85 -97.36 -10.74 25.0 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.765 0.426 . . . . 63.44 110.626 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 60.43 64.27 1.23 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.397 1.079 . . . . 74.03 110.133 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.9 mp -68.49 101.19 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 108.405 -0.961 . . . . 73.21 108.405 169.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.1 166.91 21.03 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.685 -1.143 . . . . 74.44 109.606 168.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -73.66 150.24 41.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.94 0.496 . . . . 63.13 110.651 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 55.0 24.07 5.64 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.069 2.148 . . . . 75.45 113.209 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 t -78.65 152.22 31.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.092 0.557 . . . . 74.33 110.246 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.7 106.91 17.56 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.573 0.701 . . . . 61.05 111.968 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.7 tt -90.17 149.18 22.54 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.856 -1.535 . . . . 65.13 106.856 169.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.0 tt -135.8 128.3 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.092 0.557 . . . . 52.14 109.808 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.494 ' HG ' ' HG ' ' A' ' 43' ' ' LEU . 6.1 mp -97.48 113.58 25.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.949 0.9 . . . . 72.43 108.961 176.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . 2.2 mm? -95.59 141.0 29.61 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.8 -1.555 . . . . 62.12 106.8 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' HB3' HD21 ' C' ' 764' ' ' ASN . 30.9 tp -73.49 167.42 21.34 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.447 0.567 . . . . 73.4 109.597 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -51.11 97.67 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.097 0.959 . . . . 72.5 110.684 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.65 -68.99 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 113.63 -1.623 . . . . 73.54 108.372 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.3 mmp_? . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.048 1.339 . . . . 75.15 108.113 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.923 -0.471 . . . . 52.33 111.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.54 142.91 33.79 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.144 0.577 . . . . 64.22 109.695 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 4.0 pm0 -114.74 122.98 48.08 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.117 -0.697 . . . . 73.1 109.117 -174.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.414 HG21 HG23 ' A' ' 61' ' ' ILE . 27.7 pt -119.21 179.02 2.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 124.537 1.135 . . . . 70.43 110.409 -169.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 39.7 m-85 -116.68 117.78 30.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.113 -0.949 . . . . 72.25 109.528 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 15' ' ' LEU . 35.1 m -107.91 107.58 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 108.744 -0.836 . . . . 62.21 108.744 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.79 117.44 17.54 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.1 t -117.06 147.3 42.49 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.148 0.979 . . . . 75.03 109.699 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.65 HG22 ' HE1' ' A' ' 10' ' ' TRP . 21.2 t -89.1 107.12 17.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 107.593 -1.262 . . . . 54.12 107.593 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.0 140.87 35.71 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.464 -0.939 . . . . 42.51 108.464 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -125.46 143.33 51.04 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.863 0.865 . . . . 73.42 109.032 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.52 103.06 7.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.994 -1.113 . . . . 75.14 107.994 169.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 6.7 m -84.24 112.46 20.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.576 -0.527 . . . . 74.14 109.576 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 49.9 mt -90.46 154.12 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.329 -1.36 . . . . 75.33 107.329 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 61.9 m -137.08 111.28 8.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 75.34 108.316 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.413 HD21 HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -126.46 163.75 22.66 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.06 -0.719 . . . . 71.44 109.06 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.0 tt0 -106.16 140.18 39.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.068 -1.086 . . . . 63.31 108.068 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.0 p -144.51 160.98 14.74 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 123.62 0.768 . . . . 64.21 109.221 -174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 74.9 mm-40 -103.15 141.61 22.84 Favored Pre-proline 0 N--CA 1.468 0.466 0 C-N-CA 123.217 0.607 . . . . 63.03 110.196 -176.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.93 -27.53 50.81 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.69 2.26 . . . . 75.1 111.701 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 54.9 p -81.38 -17.6 48.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.275 1.03 . . . . 65.24 112.158 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 118' ' ' GLU . 5.2 t70 -85.06 158.68 20.38 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.804 -0.813 . . . . 73.21 108.804 -174.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -85.45 163.56 18.4 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.395 0.678 . . . . 72.34 111.973 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 150' ' ' LEU . 29.1 mm -66.54 -18.36 24.01 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 C-N-CA 124.866 1.267 . . . . 62.02 110.663 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 9.8 pt-20 -56.9 -25.09 56.4 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.453 -0.794 . . . . 52.24 110.576 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 10.3 t-20 -54.99 -58.46 7.53 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.673 1.189 . . . . 71.51 109.957 170.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.49 -44.34 98.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 124.543 1.137 . . . . 75.11 111.124 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.552 ' HG2' ' HA ' ' B' ' 124' ' ' GLU . 59.4 pttt -65.27 -38.7 91.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 116.013 -0.54 . . . . 44.02 109.905 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.51 61.86 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 116.075 -0.511 . . . . 72.05 110.555 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.6 mmtt -67.42 -59.88 3.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 109.253 -0.647 . . . . 71.45 109.253 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 19.7 pt -58.73 -36.78 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 123.252 0.345 . . . . 74.25 111.476 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -68.96 -40.09 79.09 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.637 0.775 . . . . 64.43 112.063 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -70.21 -50.4 40.34 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.692 0.758 . . . . 72.22 110.619 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.95 -50.61 10.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.781 -1.554 . . . . 73.33 111.609 -165.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' B' ' 136' ' ' ILE . 12.6 pt-20 -125.93 5.2 7.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 113.326 0.862 . . . . 71.11 113.326 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.65 63.84 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 114.776 0.67 . . . . 42.0 114.776 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.547 HG13 ' HG3' ' B' ' 134' ' ' GLU . 58.8 mt -78.84 112.05 24.32 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.423 -0.954 . . . . 64.53 108.423 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -67.12 135.46 37.4 Favored 'Trans proline' 0 CA--C 1.564 1.998 0 C-N-CA 122.571 2.181 . . . . 74.24 111.194 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.9 -51.54 2.88 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 124.055 3.17 . . . . 70.24 115.069 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.11 -27.93 66.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.301 0.64 . . . . 52.22 110.008 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -85.46 12.82 7.67 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.96 1.304 . . . . 70.25 110.635 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -138.63 146.69 42.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.218 -0.66 . . . . 74.11 109.218 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -119.59 106.17 11.92 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.669 -0.863 . . . . 72.22 108.669 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 57.5 tp -82.66 130.67 35.16 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.373 0.669 . . . . 73.44 109.784 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' B' ' 168' ' ' ILE . 10.7 t70 -118.99 145.0 46.19 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.782 1.233 . . . . 72.15 108.751 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.502 ' HB2' HD21 ' B' ' 150' ' ' LEU . 25.0 t80 -139.17 102.36 4.49 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.389 -0.967 . . . . 33.21 108.389 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.77 24.49 4.43 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.333 1.053 . . . . 72.34 113.062 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.39 32.26 7.47 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 120.04 -0.311 . . . . 32.22 113.805 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -122.32 131.4 53.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.675 0.79 . . . . 71.51 109.132 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.12 112.19 18.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.306 -1.368 . . . . 71.55 107.306 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.644 ' HB3' HG21 ' B' ' 123' ' ' ILE . 3.0 mm? -73.08 89.47 1.48 Allowed 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.199 -0.667 . . . . 70.41 109.199 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.35 119.7 9.58 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.962 -1.017 . . . . 74.44 108.547 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.571 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.4 p-10 -63.6 -20.76 65.92 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.86 0.864 . . . . 73.12 112.512 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -87.04 -4.28 81.95 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 115.693 -0.685 . . . . 54.0 113.841 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.48 167.84 10.91 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.598 -0.89 . . . . 74.12 108.598 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 92.3 m -100.91 156.92 17.11 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.229 1.012 . . . . 55.25 109.901 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.554 HD22 HD13 ' B' ' 123' ' ' ILE . 3.6 mm? -56.9 -40.61 76.58 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.783 0.833 . . . . 74.24 109.923 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.482 ' H ' HG22 ' B' ' 155' ' ' THR . 42.8 t -60.26 -32.08 70.83 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.308 0.855 . . . . 75.41 113.308 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.78 -28.27 65.79 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.519 0.599 . . . . 53.32 111.331 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -106.43 1.32 25.52 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.777 0.831 . . . . 71.31 110.68 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 65.9 t30 48.88 51.91 15.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.967 1.307 . . . . 62.44 111.007 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.09 119.95 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 114.568 -1.196 . . . . 72.22 109.661 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.38 171.0 7.85 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-O 121.715 0.769 . . . . 63.02 110.716 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.6 139.58 58.45 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.548 -0.751 . . . . 75.02 109.653 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 63.91 23.49 13.37 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 113.649 -1.614 . . . . 71.22 112.353 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.4 m -62.47 117.12 5.76 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-N 118.527 0.603 . . . . 52.21 110.114 166.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.39 109.1 21.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.448 0.699 . . . . 63.03 109.497 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.93 138.95 38.22 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.399 1.08 . . . . 53.13 108.194 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.565 HG23 ' HB3' ' B' ' 144' ' ' ASP . 4.9 tt -95.38 111.75 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.271 0.558 . . . . 72.3 109.675 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 10.1 tt -89.86 125.03 35.19 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.657 -0.497 . . . . 63.4 109.657 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 160.09 15.36 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.935 0.894 . . . . 72.22 109.069 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.85 178.17 3.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.931 . . . . 64.33 110.816 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 10.9 t -40.88 134.75 1.86 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.393 1.077 . . . . 74.33 112.917 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 58.92 174.68 0.07 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.291 1.036 . . . . 65.42 111.278 -168.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.56 ' HB2' HG11 ' C' ' 814' ' ' VAL . 70.1 mtt180 . . . . . 0 C--O 1.247 0.957 0 N-CA-C 107.331 -1.359 . . . . 70.43 107.331 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 CA-C-O 119.68 -0.511 . . . . 62.33 112.098 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 49.5 m -78.51 152.38 32.03 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.051 0.54 . . . . 64.35 110.174 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.83 -178.97 5.19 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 65.53 110.345 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 25.6 p -148.64 -32.87 0.23 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.262 1.025 . . . . 63.34 108.91 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.07 84.9 3.57 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.004 -0.739 . . . . 73.32 109.004 171.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 32.8 p -86.03 111.81 20.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.519 0.728 . . . . 73.15 109.095 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -90.47 -167.14 41.6 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 112.346 -0.301 . . . . 63.21 112.346 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 740' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' C' ' 744' ' ' ALA . 2.7 mmm -76.04 156.8 33.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.488 0.715 . . . . 75.01 111.024 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -85.17 40.01 0.8 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.177 0.991 . . . . 65.21 112.052 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 30.5 t -151.62 -87.52 0.07 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 122.318 0.247 . . . . 64.33 110.789 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -69.8 -36.63 75.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.337 0.655 . . . . 74.2 110.341 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 744' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' C' ' 740' ' ' MET . . . -67.41 -29.66 69.22 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.973 0.796 . . . . 72.12 111.087 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.84 -46.9 82.96 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.21 0.944 . . . . 75.45 110.745 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -60.34 -56.21 24.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.261 -0.881 . . . . 73.51 110.9 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.479 ' HA ' HD21 ' C' ' 787' ' ' LEU . 13.2 ptpt -66.21 -39.28 89.5 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 114.609 -1.178 . . . . 74.24 111.904 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -53.16 -50.91 63.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.493 0.717 . . . . 72.41 111.001 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.9 -43.84 82.36 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.455 0.702 . . . . 73.13 111.86 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -49.16 78.69 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.894 0.746 . . . . 63.1 110.6 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.47 -42.6 96.57 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.691 1.196 . . . . 72.33 110.989 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -71.2 -34.66 71.08 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 123.764 0.665 . . . . 65.33 109.238 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -43.36 85.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.633 0.773 . . . . 73.01 109.732 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -65.59 -33.79 76.74 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 114.971 -1.013 . . . . 74.12 110.37 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -76.3 -31.08 58.02 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.038 -0.528 . . . . 72.12 110.402 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 92.0 m -69.22 -31.72 70.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.127 -0.694 . . . . 54.2 109.127 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' C' ' 761' ' ' MET . 14.0 m-85 -63.82 -64.8 0.79 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.71 0.804 . . . . 74.12 110.427 170.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 73.9 mt -57.36 -44.69 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.636 0.774 . . . . 52.32 111.424 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -65.38 -51.72 58.5 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.238 0.615 . . . . 71.12 109.742 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -71.32 -26.19 62.74 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.886 0.741 . . . . 75.05 112.451 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' C' ' 757' ' ' TYR . 26.7 ptm -80.34 -35.98 34.79 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 110.212 -0.292 . . . . 63.44 110.212 172.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.4 -11.74 60.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.267 0.627 . . . . 75.13 110.892 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 93.1 m -66.26 -17.73 64.92 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.486 0.714 . . . . 63.25 110.447 170.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.621 ' HB2' HD12 ' C' ' 765' ' ' LEU . 7.2 m120 -118.24 -55.42 2.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.537 1.135 . . . . 62.22 109.259 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' C' ' 764' ' ' ASN . 4.3 mp -91.65 61.96 4.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.15 1.38 . . . . 73.43 107.542 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.443 ' HG3' HH12 ' C' ' 816' ' ' ARG . 8.2 pt-20 -68.19 17.07 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.361 1.985 . . . . 73.13 116.361 -165.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 68.3 m -158.86 88.84 0.92 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.936 0.895 . . . . 53.51 109.588 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.08 147.45 52.44 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.075 0.55 . . . . 71.21 111.182 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 769' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 34.8 t -65.42 162.27 18.13 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.25 1.02 . . . . 75.02 110.814 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.98 -31.48 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.466 -0.938 . . . . 74.04 108.466 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -46.56 -54.7 8.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.741 1.216 . . . . 75.23 112.842 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' C' ' 776' ' ' MET . 3.2 mpt_? -60.77 -58.46 8.38 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.673 0.608 . . . . 63.13 109.896 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.09 -23.08 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 CA-C-N 114.292 -1.322 . . . . 73.1 111.948 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.654 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 54.9 t80 -67.34 -51.59 50.46 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 109.054 -0.721 . . . . 70.11 109.054 171.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -62.23 -34.47 76.56 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.063 0.852 . . . . 64.05 110.544 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 776' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 82.1 mmm -60.74 -61.71 2.39 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.999 0.812 . . . . 75.15 109.579 172.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.82 -34.79 65.68 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.209 -0.905 . . . . 72.21 112.846 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.453 ' HA ' HG12 ' C' ' 781' ' ' VAL . 14.4 tpt180 -69.28 -47.76 63.65 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.185 0.928 . . . . 54.01 108.836 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -53.8 17.36 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.051 0.844 . . . . 74.42 110.24 171.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -72.35 -26.22 61.84 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.509 0.559 . . . . 63.33 112.509 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' C' ' 778' ' ' ARG . 2.5 p -85.66 -25.61 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 117.782 0.264 . . . . 74.01 111.024 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 19.7 m -90.61 -24.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 N-CA-C 112.123 0.416 . . . . 73.11 112.123 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.9 p -68.3 -19.35 64.68 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 120.763 0.316 . . . . 62.51 111.774 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.83 173.44 18.29 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.405 -0.816 . . . . 50.41 111.284 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.32 5.81 6.02 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 122.676 2.251 . . . . 55.42 111.545 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -43.0 114.2 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.551 1.94 . . . . 70.14 112.168 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 787' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' C' ' 747' ' ' LYS . 68.7 mt 66.38 9.23 6.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.669 1.187 . . . . 70.23 113.164 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.81 32.47 19.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.191 0.996 . . . . 51.12 111.165 -172.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 70.54 130.2 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.886 1.674 . . . . 73.42 111.62 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.434 ' H ' HG12 ' C' ' 790' ' ' ILE . 4.3 pt -92.44 170.94 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.658 1.183 . . . . 73.32 111.373 175.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -124.14 172.8 8.75 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.44 1.096 . . . . 71.53 109.492 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.05 -37.53 69.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.941 1.297 . . . . 73.21 111.903 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.12 -43.92 98.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.26 0.624 . . . . 73.53 110.966 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -69.29 -41.54 76.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.684 0.794 . . . . 74.12 110.052 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.654 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.12 -62.5 1.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.751 -1.113 . . . . 73.44 109.845 -179.51 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -60.59 -30.52 69.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.67 0.788 . . . . 75.52 110.94 -177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -67.57 -37.7 89.8 Favored Glycine 0 C--N 1.356 1.652 0 O-C-N 124.0 0.812 . . . . 41.02 112.532 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.61 -47.67 80.47 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 123.593 0.757 . . . . 61.54 109.988 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.19 -40.05 94.76 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 115.253 -0.885 . . . . 65.34 110.887 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 800' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.3 OUTLIER -57.47 -53.0 63.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.224 0.952 . . . . 72.51 110.334 179.11 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -50.06 -51.12 44.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.011 0.925 . . . . 71.31 110.743 172.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 1.9 mptp? -59.83 -33.32 71.61 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.628 0.58 . . . . 75.4 112.301 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.82 -43.29 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.748 0.419 . . . . 74.34 110.1 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 804' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 8.2 mmm180 -71.54 -24.42 61.94 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.903 0.481 . . . . 74.02 111.537 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.98 -4.4 59.13 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.658 1.183 . . . . 62.11 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.5 11.71 6.81 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 125.641 1.576 . . . . 75.34 111.49 -170.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.82 -28.96 60.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.346 1.058 . . . . 64.44 110.501 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.475 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 9.3 mt -135.78 142.23 44.89 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.837 1.255 . . . . 75.25 109.6 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.9 t -105.32 129.01 58.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 125.569 1.547 . . . . 65.2 108.26 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -93.09 108.68 20.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.093 -1.077 . . . . 71.5 108.093 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.516 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.0 t -88.29 -149.52 0.17 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.896 -1.15 . . . . 72.31 107.896 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.52 77.33 0.57 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.942 0.792 . . . . 75.25 110.695 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.03 21.04 76.79 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-N 115.597 -0.729 . . . . 61.11 113.548 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' B' ' 174' ' ' ARG . 4.6 m -131.62 159.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 123.245 0.618 . . . . 73.35 109.973 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 815' ' ' TYR . . . . . 0.462 ' HB3' HD22 ' C' ' 808' ' ' LEU . 67.9 m-85 -108.9 136.72 47.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.31 1.044 . . . . 74.33 110.928 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.443 HH12 ' HG3' ' C' ' 766' ' ' GLU . 17.5 ttt85 -136.88 135.82 38.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.205 1.002 . . . . 74.12 110.014 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.53 128.79 71.2 Favored Pre-proline 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 62.41 110.148 173.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.04 92.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.366 2.044 . . . . 64.14 110.046 159.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 141.11 58.64 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.635 0.731 . . . . 61.3 111.176 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -102.69 -16.03 16.14 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.716 0.806 . . . . 74.23 110.482 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.59 -51.41 69.94 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 123.915 0.76 . . . . 73.3 110.781 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.158 -0.925 . . . . 54.33 108.784 176.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 110.99 -0.844 . . . . 63.53 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.14 151.08 27.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.697 0.799 . . . . 75.43 109.653 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -85.93 150.71 24.31 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.088 -1.079 . . . . 73.42 108.088 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.28 158.7 43.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 CA-C-O 121.114 0.483 . . . . 74.44 110.513 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.81 105.41 11.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.924 -1.035 . . . . 74.31 108.903 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 95.0 t -88.76 95.24 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 108.397 -0.964 . . . . 51.31 108.397 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB3' ' CH2' ' B' ' 110' ' ' TRP . 18.1 m-20 -76.71 100.74 5.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.212 1.405 . . . . 72.12 111.698 -172.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.502 ' OG1' ' HG3' ' B' ' 111' ' ' LYS . 0.7 OUTLIER -101.12 119.56 38.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.58 1.152 . . . . 74.25 109.757 -174.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.54 136.85 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.479 0.711 . . . . 74.1 109.58 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 44.7 mt-30 -122.77 82.04 1.94 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.858 0.463 . . . . 70.04 109.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' C' ' 765' ' ' LEU . 20.0 t-105 -98.59 117.02 32.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 74.35 108.133 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -162.78 132.3 4.31 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.646 0.592 . . . . 74.14 111.195 -166.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 0.6 OUTLIER -75.73 137.97 40.96 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.238 -0.653 . . . . 71.24 109.238 168.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mm -114.03 120.6 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.322 -1.362 . . . . 70.13 107.322 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.3 m -87.76 122.05 30.94 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.279 0.491 . . . . 51.11 110.099 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD21 HG13 ' B' ' 105' ' ' VAL . 1.3 pt? -136.51 166.47 23.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.209 1.003 . . . . 72.33 109.203 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 2.7 mp0 -103.78 151.7 22.74 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.877 -0.786 . . . . 71.35 108.877 168.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -148.99 155.99 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.67 -0.696 . . . . 75.54 110.2 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.39 144.35 28.64 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.175 0.99 . . . . 62.34 110.357 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -65.46 -34.42 43.2 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.411 2.074 . . . . 75.12 111.134 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -75.84 -10.04 59.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.329 1.051 . . . . 73.13 112.057 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.65 163.84 19.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.638 0.775 . . . . 75.43 110.377 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -94.4 159.94 14.88 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.383 0.611 . . . . 74.2 110.839 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.494 HD13 HD22 ' A' ' 56' ' ' LEU . 26.5 mm -63.9 -27.18 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 124.81 1.244 . . . . 74.45 110.413 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.33 -21.8 66.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.372 1.069 . . . . 73.14 111.243 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -73.92 -37.74 64.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.482 -0.562 . . . . 65.12 109.482 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 61.8 t -65.89 -45.17 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.123 -0.695 . . . . 74.42 109.123 173.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -56.83 -45.37 82.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.253 1.021 . . . . 60.02 110.6 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.56 -34.89 65.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.653 0.381 . . . . 44.42 111.569 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 17.3 ptmt -74.97 -35.28 62.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.579 0.352 . . . . 74.14 110.92 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.434 HD11 ' OE1' ' A' ' 41' ' ' GLN . 18.4 pt -75.49 -27.24 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.207 0.458 . . . . 74.03 110.245 172.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.327 0.584 . . . . 74.51 110.377 171.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.64 -48.79 36.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.241 -0.89 . . . . 73.24 110.657 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 -60.87 1.89 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.525 -0.762 . . . . 73.15 111.507 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -78.66 -30.73 46.44 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.439 0.696 . . . . 75.31 110.601 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.92 15.83 50.58 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.894 -0.593 . . . . 73.41 113.123 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -73.24 114.85 35.15 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.785 0.834 . . . . 73.15 111.546 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.77 139.15 33.09 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.366 2.044 . . . . 53.11 110.359 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -54.62 -30.12 64.16 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.39 2.726 . . . . 74.13 113.152 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.74 -46.61 88.86 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.825 -1.08 . . . . 72.24 110.664 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -83.85 -13.48 53.56 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.179 -0.919 . . . . 52.12 111.74 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' HD11 ' A' ' 30' ' ' ILE . 17.7 tt0 -81.65 133.7 35.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.373 1.469 . . . . 53.3 110.804 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 66.9 mtp180 -129.41 87.88 2.61 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 106.741 -1.577 . . . . 61.25 106.741 167.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.97 116.58 15.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.627 0.771 . . . . 74.23 110.279 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 68' ' ' ILE . 5.0 mm -111.14 135.98 48.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 122.976 0.51 . . . . 62.24 109.655 175.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.83 103.93 7.33 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.864 -1.162 . . . . 74.43 107.864 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.47 7.28 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 124.141 0.901 . . . . 65.01 112.666 170.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.52 20.41 29.55 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.287 -0.415 . . . . 74.51 113.846 -174.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -125.06 136.21 53.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.596 1.159 . . . . 72.34 108.095 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -89.08 127.17 35.69 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 109.856 -0.424 . . . . 60.43 109.856 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -88.95 113.1 24.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.511 -0.768 . . . . 72.52 109.229 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 2.5 tm-20 -66.15 129.26 39.22 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.694 -0.854 . . . . 64.32 108.694 175.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.31 -51.76 51.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.028 1.331 . . . . 73.41 112.619 -168.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 18.18 56.66 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-O 119.804 -0.442 . . . . 73.01 113.903 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 33.7 ttt180 -93.65 174.97 6.92 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.109 -1.071 . . . . 70.45 108.109 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.4 m -108.35 149.63 28.43 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.824 1.193 . . . . 73.31 110.418 -170.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 61' ' ' ILE . 2.5 mm? -57.42 -42.81 83.07 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.588 0.755 . . . . 75.31 109.903 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 55' ' ' THR . 34.6 t -64.47 -30.79 71.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.224 1.01 . . . . 75.54 112.924 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.33 -36.72 73.81 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.09 0.471 . . . . 74.35 110.225 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.0 m-85 -88.66 -8.83 53.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.708 -0.678 . . . . 73.44 110.844 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 59.5 48.3 9.9 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 122.024 0.916 . . . . 52.32 109.074 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 56' ' ' LEU . 21.0 mt -66.38 111.08 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 114.929 -1.032 . . . . 71.31 111.027 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.79 178.88 7.97 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.456 -1.247 . . . . 73.21 110.731 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.69 164.46 23.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.78 -1.1 . . . . 75.42 111.43 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 48.02 30.83 2.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 126.482 1.913 . . . . 70.1 113.81 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB2' HG22 ' B' ' 103' ' ' ILE . 51.5 m -78.07 125.73 29.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.886 -0.597 . . . . 64.43 110.018 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.44 110.34 20.75 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.06 0.457 . . . . 60.35 110.142 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD23 HG12 ' B' ' 105' ' ' VAL . 0.5 OUTLIER -99.05 164.05 12.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.921 0.888 . . . . 61.34 108.697 175.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.573 ' HA ' ' HB3' ' B' ' 106' ' ' ASP . 4.5 tt -138.72 126.96 28.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 109.632 -0.507 . . . . 74.14 109.632 175.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HG22 ' B' ' 107' ' ' THR . 35.9 mt -96.68 120.0 36.19 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.41 -0.813 . . . . 70.0 108.98 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 44.1 mt -93.28 120.14 33.23 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.539 -1.652 . . . . 75.35 106.539 173.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.38 162.51 28.49 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.946 -0.761 . . . . 74.34 108.946 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -32.34 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.923 0.889 . . . . 65.53 112.519 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' C' ' 760' ' ' ALA . 11.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.343 -1.299 . . . . 63.3 110.189 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 118.698 -0.667 . . . . 65.33 110.597 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 112.056 -0.418 . . . . 73.44 112.056 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.9 -171.45 3.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.925 0.89 . . . . 73.13 109.75 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -136.11 152.95 51.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.303 1.041 . . . . 64.4 108.619 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 65' ' ' SER . 21.7 pt -142.57 165.02 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.955 0.502 . . . . 75.14 111.385 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -118.15 106.13 12.53 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.242 -1.022 . . . . 71.31 108.242 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -97.51 115.55 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 118.774 0.715 . . . . 72.4 109.249 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 68' ' ' ILE . 25.7 t70 -71.24 129.83 39.89 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.646 -0.501 . . . . 52.34 109.646 174.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 69' ' ' LEU . 73.4 p -130.29 133.91 46.82 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.803 1.241 . . . . 74.05 108.157 -176.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 4.1 p -125.49 119.57 55.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.491 0.662 . . . . 52.22 110.814 173.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -112.71 106.14 14.45 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.056 -0.975 . . . . 54.0 108.405 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 6' ' ' ASP . 71.9 t-105 -82.03 147.04 29.37 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.232 -0.655 . . . . 74.03 109.232 171.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HG3' ' OG1' ' A' ' 7' ' ' THR . 18.5 ptpt -158.87 147.99 18.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.259 -1.015 . . . . 73.13 108.259 171.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 56.6 m -118.96 123.37 44.42 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.662 -0.866 . . . . 72.23 108.662 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.432 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 32.0 mm -94.49 109.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 108.341 -0.985 . . . . 74.44 108.341 -177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.1 m -92.42 124.98 36.86 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.83 164.18 30.91 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 121.051 0.453 . . . . 43.33 111.016 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.07 143.82 27.53 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.524 -1.658 . . . . 63.44 106.524 170.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.08 163.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.194 0.452 . . . . 63.24 110.721 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.97 147.69 35.98 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.59 0.756 . . . . 64.42 109.489 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.07 -40.97 81.59 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 123.043 2.495 . . . . 73.02 112.787 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 22.8 m -79.91 -8.45 59.32 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.025 -0.534 . . . . 74.35 112.019 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.53 151.27 47.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.393 -0.595 . . . . 55.05 109.393 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.62 166.84 15.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.214 0.531 . . . . 71.52 110.175 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.672 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 29.4 mm -72.97 -21.22 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.791 -0.641 . . . . 64.54 110.352 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.6 pt-20 -58.82 -26.32 64.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 74.33 111.873 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 60.1 m-80 -64.26 -54.98 24.73 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.479 -0.563 . . . . 43.31 109.479 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.24 -41.09 88.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 123.761 0.824 . . . . 62.31 110.453 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.586 ' HB2' HE22 ' B' ' 141' ' ' GLN . 37.3 pttt -63.8 -41.28 97.95 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 115.807 -0.633 . . . . 61.41 109.798 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.9 -28.06 63.25 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 122.836 0.454 . . . . 72.25 110.913 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 8.9 mmpt? -67.14 -52.11 45.57 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.309 0.38 . . . . 75.54 110.525 176.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.502 HD11 ' NE2' ' B' ' 141' ' ' GLN . 2.7 pp -70.89 -29.26 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 122.988 0.18 . . . . 74.1 111.37 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.57 -39.82 84.91 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.736 0.414 . . . . 70.44 110.117 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.58 -52.24 27.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.408 0.683 . . . . 64.42 110.259 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -86.26 -51.06 6.5 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.537 -0.756 . . . . 74.11 111.774 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.7 -18.81 27.1 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.662 0.385 . . . . 51.03 111.285 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.52 72.6 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.932 -0.371 . . . . 75.42 113.589 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.09 118.69 73.44 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.61 0.764 . . . . 63.14 110.117 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.474 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 38.6 Cg_exo -61.76 125.68 17.21 Favored 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.146 2.564 . . . . 64.3 111.775 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 6.8 Cg_endo -48.77 -39.23 38.67 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 124.019 3.146 . . . . 75.23 114.538 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.67 -34.1 77.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.908 0.883 . . . . 74.12 111.292 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 22.8 mt-30 -103.97 17.46 24.06 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.664 0.785 . . . . 74.42 111.423 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.586 HE22 ' HB2' ' B' ' 127' ' ' LYS . 5.4 tt0 -102.54 110.33 22.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.821 1.248 . . . . 74.24 110.213 -175.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -94.85 81.32 3.76 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.312 0.645 . . . . 74.15 109.596 169.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 100.14 6.25 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.318 -1.364 . . . . 45.22 107.318 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.92 121.92 46.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.37 -0.604 . . . . 73.13 109.37 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 167' ' ' LEU . 65.2 t80 -109.36 104.94 14.13 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.274 1.03 . . . . 73.23 108.468 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.92 29.43 9.95 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.799 0.84 . . . . 70.12 113.166 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.74 17.81 37.17 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 114.425 0.53 . . . . 74.1 114.425 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.572 ' HE3' ' HD1' ' B' ' 159' ' ' TYR . 0.1 OUTLIER -142.71 123.31 14.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.282 0.633 . . . . 74.54 109.686 173.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.9 159.03 34.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.385 0.674 . . . . 64.53 111.935 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 43.3 mt -110.21 117.87 34.83 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.201 -0.909 . . . . 74.44 110.766 -175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.03 125.56 29.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.854 0.861 . . . . 43.42 109.292 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.672 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 7.2 p-10 -60.48 -34.0 73.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.435 0.694 . . . . 74.41 112.526 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -86.36 9.05 71.82 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.508 -0.607 . . . . 71.34 113.814 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' B' ' 159' ' ' TYR . 21.5 ttm-85 -110.47 162.55 14.57 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.012 0.906 . . . . 64.35 109.053 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 40.6 p -96.47 157.6 15.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.217 0.607 . . . . 74.31 111.482 -171.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 123' ' ' ILE . 2.9 mm? -57.96 -38.28 75.73 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.38 1.072 . . . . 63.32 109.836 174.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.5 t -61.95 -39.67 92.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.959 0.904 . . . . 52.24 112.134 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.45 -31.28 65.77 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.068 0.855 . . . . 70.03 111.163 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.572 ' HD1' ' HE3' ' B' ' 148' ' ' LYS . 91.5 m-85 -90.17 -12.59 37.72 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.713 -0.676 . . . . 62.14 111.474 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.97 52.54 2.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.079 1.419 . . . . 74.25 109.346 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.3 mm -68.44 114.16 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 113.536 -1.666 . . . . 64.24 110.082 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -85.08 156.2 21.18 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.529 0.68 . . . . 50.45 110.6 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.29 144.1 51.29 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 115.68 -0.691 . . . . 54.33 109.466 170.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 50.2 29.03 3.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.127 1.371 . . . . 73.12 112.824 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 78.4 p -62.51 127.07 29.59 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 110.458 -0.201 . . . . 71.3 110.458 167.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.55 128.29 37.32 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 109.381 -0.6 . . . . 75.24 109.381 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 145' ' ' PHE . 1.3 pt? -144.63 126.35 15.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.7 0.8 . . . . 73.12 109.511 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 12.6 pt -95.25 128.98 46.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.866 0.841 . . . . 73.1 110.129 -166.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.581 HD11 ' HG3' ' B' ' 141' ' ' GLN . 34.0 tp -99.11 103.33 15.23 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.136 -0.938 . . . . 72.24 109.158 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.68 160.69 14.16 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.468 -1.242 . . . . 74.05 109.688 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.31 171.67 13.81 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.883 0.473 . . . . 61.52 110.035 171.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.445 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.7 t -44.73 100.64 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 114.505 1.298 . . . . 75.22 114.505 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -112.48 -83.98 0.58 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 106.35 -1.722 . . . . 61.31 106.35 160.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.619 -1.252 . . . . 55.25 107.619 163.725 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 112.531 -0.227 . . . . 60.11 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 45.6 p -142.93 27.09 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.695 0.798 . . . . 62.34 110.235 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.53 96.05 3.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.109 0.964 . . . . 73.31 109.044 -173.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 58.1 p -149.94 7.32 0.63 Allowed 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.382 -0.823 . . . . 73.53 112.196 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.82 105.56 17.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.784 0.834 . . . . 74.1 108.804 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 22.9 m -74.63 89.07 2.21 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.553 0.741 . . . . 75.45 110.345 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -173.13 -101.81 0.15 Allowed Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.837 -0.62 . . . . 63.43 112.048 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 78.3 mtp 67.1 136.83 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.35 1.46 . . . . 72.22 112.552 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 741' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' C' ' 744' ' ' ALA . . . -86.73 -105.51 0.06 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.712 0.805 . . . . 71.21 111.257 -173.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 70.0 m -156.36 -74.1 0.1 Allowed 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 118.744 0.702 . . . . 74.42 110.154 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -81.87 -26.27 34.33 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.683 0.754 . . . . 63.33 109.717 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 744' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' C' ' 741' ' ' ALA . . . -73.66 -11.39 60.4 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.459 -1.246 . . . . 62.3 112.065 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -52.4 -47.38 66.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.794 0.838 . . . . 75.31 111.822 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 30.9 mm-40 -55.13 -44.33 74.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.726 0.81 . . . . 75.42 110.849 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.49 -50.75 23.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.113 -1.403 . . . . 72.1 111.435 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.76 -31.53 72.8 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.763 0.664 . . . . 65.32 110.936 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.72 -33.6 68.86 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.531 0.519 . . . . 43.34 110.639 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 750' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 36.9 mm-40 -66.21 -39.82 89.9 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 109.736 -0.468 . . . . 63.44 109.736 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.54 -35.55 77.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.703 0.801 . . . . 65.42 110.826 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -72.22 -39.0 68.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.386 -0.968 . . . . 75.22 108.386 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 753' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' C' ' 756' ' ' THR . 0.6 OUTLIER -63.91 -38.69 92.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.198 0.599 . . . . 73.2 109.959 174.441 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.611 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 13.4 m-85 -66.77 -37.43 84.58 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.194 -0.669 . . . . 75.22 109.194 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -67.27 -33.8 76.08 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 123.867 0.729 . . . . 75.31 110.206 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 756' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' C' ' 753' ' ' LEU . 62.6 m -60.63 -43.58 97.36 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 122.924 0.49 . . . . 74.03 110.465 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.44 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 18.4 m-85 -65.65 -57.18 8.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.938 0.495 . . . . 75.03 111.442 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.445 HG13 ' O ' ' C' ' 754' ' ' PHE . 55.1 mt -61.47 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 124.343 1.027 . . . . 74.44 110.237 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.78 -41.84 92.01 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.693 0.621 . . . . 73.24 110.521 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.537 ' HA ' HD13 ' A' ' 73' ' ' LEU . . . -74.61 -36.27 62.95 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.868 0.73 . . . . 65.31 112.163 -176.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.73 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.8 ppp? -77.96 -28.93 49.56 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.737 -0.21 . . . . 73.33 110.477 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.73 HD22 ' SD ' ' C' ' 761' ' ' MET . 3.9 mm? -79.78 -25.0 41.09 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.634 1.174 . . . . 70.43 110.429 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 1.3 m -61.94 -17.67 57.65 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.967 0.907 . . . . 75.1 111.234 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -111.02 -51.05 2.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.639 0.776 . . . . 71.31 109.149 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 10' ' ' TRP . 7.3 mp -97.71 61.86 1.62 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.225 1.01 . . . . 64.41 111.333 -176.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.97 70.22 8.84 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.729 -0.607 . . . . 62.34 110.992 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 10.3 m 173.72 92.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.244 2.217 . . . . 73.15 108.195 176.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.446 HD11 HD21 ' C' ' 762' ' ' LEU . 2.8 pp -162.11 146.83 12.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.724 0.773 . . . . 62.32 112.689 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.3 t -72.16 157.43 37.77 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-N 114.931 -1.031 . . . . 72.5 110.401 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.624 HD11 HD12 ' C' ' 795' ' ' LEU . 13.9 tp -55.73 -25.86 42.53 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.789 -1.096 . . . . 71.42 112.094 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.79 -53.84 46.63 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.842 0.857 . . . . 75.54 112.047 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -60.41 -52.19 66.3 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.536 0.734 . . . . 75.13 111.415 -174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.544 HD12 HD21 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -67.09 -39.14 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 115.021 -0.991 . . . . 42.05 110.695 -177.102 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.546 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 22.0 t80 -56.18 -49.82 72.94 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.593 -0.521 . . . . 72.1 109.593 173.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 124.254 0.971 . . . . 70.13 111.404 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 80.1 mtp -63.62 -58.2 7.68 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.347 0.404 . . . . 64.44 110.835 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.409 HD11 HD11 ' C' ' 758' ' ' ILE . 9.4 mp -58.3 -34.93 71.1 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.845 0.458 . . . . 74.32 110.736 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -69.81 -37.86 76.4 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 124.581 1.152 . . . . 71.32 110.472 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.44 -57.41 13.04 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.042 0.937 . . . . 61.13 110.573 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 780' ' ' PHE . . . . . 0.611 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 57.9 m-85 -65.46 -27.93 68.85 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 111.49 0.182 . . . . 73.14 111.49 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.623 ' HA ' ' HB3' ' C' ' 786' ' ' ALA . 1.6 t -69.3 -44.61 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.331 0.652 . . . . 73.52 111.375 172.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.79 -20.64 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 120.703 0.287 . . . . 65.03 111.225 -168.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 18.8 p -75.6 -20.09 58.81 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.572 0.582 . . . . 73.34 112.572 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -144.73 -163.14 9.88 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-O 119.93 -0.372 . . . . 73.3 113.071 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -84.51 4.45 6.88 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 122.91 2.407 . . . . 64.01 113.159 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.63 106.07 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.94 1.296 . . . . 74.21 112.148 -174.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 84.2 mt 68.97 -0.52 2.39 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.346 1.458 . . . . 73.24 113.776 174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 53.7 43.69 30.72 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.605 0.762 . . . . 75.33 111.747 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 789' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' C' ' 781' ' ' VAL . 1.3 mp0 75.3 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.102 1.761 . . . . 52.12 113.364 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.563 HG12 HG21 ' C' ' 781' ' ' VAL . 16.7 pt -108.42 155.27 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.635 1.174 . . . . 63.2 109.527 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 791' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' C' ' 795' ' ' LEU . 9.8 p-10 -124.87 -171.38 2.34 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.981 0.912 . . . . 63.31 109.709 -169.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.97 -47.76 21.8 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.319 1.012 . . . . 61.2 111.46 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.61 -59.5 5.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.284 0.99 . . . . 74.31 111.795 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.91 -36.32 83.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.086 0.554 . . . . 75.05 112.062 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.624 HD12 HD11 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -64.72 -50.45 66.87 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.684 0.794 . . . . 71.53 109.732 177.438 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.99 -41.77 83.73 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 114.613 -1.176 . . . . 55.13 111.111 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.29 96.28 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 124.311 1.007 . . . . 44.12 112.713 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.52 -54.39 47.54 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.541 0.736 . . . . 72.24 109.982 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.544 HD21 HD12 ' C' ' 773' ' ' ILE . 4.5 mm? -59.04 -45.74 89.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.484 -0.78 . . . . 75.45 111.124 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.22 -43.64 74.67 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.852 1.261 . . . . 73.35 110.078 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -54.46 30.97 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.101 0.876 . . . . 62.53 109.518 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -55.01 -37.62 66.85 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.933 0.716 . . . . 52.12 112.933 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 799' ' ' LEU . 74.0 t -65.88 -48.49 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.018 0.527 . . . . 71.32 109.925 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 804' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' C' ' 804' ' ' ARG . 55.1 mtt85 -74.51 -14.61 60.84 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.896 0.702 . . . . 72.44 112.896 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.47 1.1 55.48 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.468 1.107 . . . . 73.35 111.239 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 59.37 34.54 22.83 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.115 1.366 . . . . 74.22 110.689 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -118.25 0.25 11.68 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.151 1.38 . . . . 74.31 110.21 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.33 36.59 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.502 -1.296 . . . . 64.1 107.502 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 46.1 t -105.8 117.43 51.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 N-CA-C 108.654 -0.869 . . . . 60.32 108.654 168.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.12 107.3 19.13 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.349 -1.352 . . . . 73.22 107.349 170.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.548 ' HB2' HG13 ' C' ' 814' ' ' VAL . 19.6 m -83.36 -157.04 0.22 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.087 -0.708 . . . . 72.53 109.087 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.69 77.06 0.6 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 118.72 0.691 . . . . 42.31 111.375 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.39 18.31 79.86 Favored Glycine 0 C--N 1.359 1.82 0 CA-C-N 115.708 -0.678 . . . . 72.51 113.082 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' C' ' 811' ' ' SER . 7.2 p -138.46 137.82 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 109.122 -0.696 . . . . 74.14 109.122 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -97.88 143.21 28.71 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 122.779 0.432 . . . . 75.21 110.241 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.3 147.14 15.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.258 -0.883 . . . . 72.31 109.621 177.351 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.722 ' HB3' ' HG2' ' C' ' 819' ' ' LYS . 7.0 mp -84.05 144.94 45.24 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 122.374 -0.204 . . . . 34.31 111.53 176.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.29 47.53 2.28 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 123.361 2.708 . . . . 74.53 113.156 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 819' ' ' LYS . . . . . 0.722 ' HG2' ' HB3' ' C' ' 817' ' ' LEU . 32.1 mmtp -87.57 -18.9 28.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.958 0.503 . . . . 73.11 111.753 -176.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -64.68 -26.77 68.52 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.851 0.46 . . . . 71.5 110.694 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.27 -32.5 70.08 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 123.564 0.746 . . . . 43.44 110.522 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 CA--C 1.561 1.399 0 C-N-CA 125.052 1.341 . . . . 55.42 111.024 173.724 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 110.983 -0.847 . . . . 54.15 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.12 150.73 25.9 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.472 0.709 . . . . 70.21 109.265 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -96.43 164.19 12.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.944 -0.571 . . . . 75.33 111.057 -178.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' B' ' 165' ' ' SER . 30.4 mt -138.14 154.33 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 124.003 0.921 . . . . 74.03 109.262 174.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.85 102.52 9.77 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.284 -1.376 . . . . 70.43 107.284 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.8 t -90.76 94.18 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.492 -0.558 . . . . 75.34 109.492 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.82 96.68 5.7 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.659 -0.497 . . . . 45.13 109.659 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 169' ' ' LEU . 14.4 t -93.32 121.1 34.36 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.883 -0.784 . . . . 63.51 108.883 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.08 132.06 38.37 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.84 -0.618 . . . . 72.32 109.5 -174.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.619 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 18.6 mm100 -116.81 84.6 2.17 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.604 -0.726 . . . . 73.21 109.782 -173.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.534 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 29.3 t-105 -105.24 105.52 15.6 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 114.798 -1.092 . . . . 75.43 108.983 176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' HE2' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -138.63 149.38 45.15 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.102 0.961 . . . . 74.13 108.95 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.428 HG22 ' HB3' ' B' ' 104' ' ' PHE . 7.8 m -94.77 117.37 30.03 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.243 -0.651 . . . . 74.14 109.243 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 14.2 mt -96.37 165.46 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.28 1.032 . . . . 73.24 109.971 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -121.34 130.02 53.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 123.518 0.727 . . . . 73.51 109.13 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 152.74 38.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.888 0.875 . . . . 64.44 109.576 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 31.6 tt0 -91.69 146.53 23.7 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.984 -0.376 . . . . 73.34 109.984 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -134.95 166.38 28.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 124.089 0.956 . . . . 72.34 109.5 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -108.86 145.76 32.36 Favored Pre-proline 0 C--N 1.354 0.787 0 C-N-CA 122.799 0.44 . . . . 73.12 110.17 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.18 -34.76 26.99 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.04 2.493 . . . . 73.33 112.366 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -80.07 -11.46 59.76 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.631 -0.713 . . . . 60.53 111.834 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.89 161.27 21.93 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 122.806 0.442 . . . . 63.15 110.721 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -82.48 160.3 22.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.289 0.566 . . . . 74.4 110.459 170.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.2 mm -65.69 -24.72 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.913 -1.04 . . . . 74.24 110.026 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -22.31 66.0 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.992 0.517 . . . . 64.12 111.096 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m-20 -62.78 -50.59 70.42 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 171.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.79 -44.55 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.903 0.881 . . . . 63.01 110.105 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' OE1' ' A' ' 41' ' ' GLN . 38.3 ttpt -54.21 -46.73 72.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.417 -1.265 . . . . 72.35 110.748 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.49 64.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.01 -0.996 . . . . 73.14 111.749 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 71.8 mmtt -70.92 -49.22 48.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.493 0.317 . . . . 53.42 110.619 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' OE1' ' A' ' 41' ' ' GLN . 11.2 pt -70.25 -27.54 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.441 0.297 . . . . 75.13 110.992 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.11 -39.54 90.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.333 0.653 . . . . 72.2 110.983 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.82 -42.48 70.18 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.939 0.896 . . . . 65.15 110.999 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.01 -60.15 2.03 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.003 . . . . 73.11 111.788 -171.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -85.78 -36.44 20.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.714 0.406 . . . . 54.31 110.096 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 33.67 9.03 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.11 -0.495 . . . . 61.11 112.762 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -77.67 122.71 86.16 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 108.305 -0.998 . . . . 45.34 108.305 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 27.3 Cg_endo -61.94 119.6 6.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.852 2.368 . . . . 64.24 112.233 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 14.9 Cg_endo -52.92 -49.28 18.14 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 124.498 3.466 . . . . 72.35 113.954 -175.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -83.2 -1.97 54.37 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.717 -0.674 . . . . 70.33 111.878 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 76.4 mt-30 -115.85 8.39 14.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.597 0.759 . . . . 65.13 111.11 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' OE1' HD11 ' A' ' 30' ' ' ILE . 1.9 pt20 -118.46 156.11 29.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.129 0.572 . . . . 72.15 110.608 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 44.3 mtp180 -136.04 108.91 7.58 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.799 -1.185 . . . . 74.21 107.799 -174.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' A' ' 67' ' ' LEU . 6.7 mp -85.97 119.33 26.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.156 -0.683 . . . . 72.11 109.156 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.653 HG21 ' HE1' ' C' ' 757' ' ' TYR . 78.8 mt -129.28 140.68 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.307 0.643 . . . . 71.22 110.368 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.2 m-85 -110.04 -160.67 0.72 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.143 -1.428 . . . . 61.43 107.143 172.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.73 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.575 1.15 . . . . 55.13 113.203 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 60.07 32.32 75.45 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 114.922 -1.035 . . . . 53.1 113.394 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.82 133.91 55.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.706 0.253 . . . . 73.14 110.829 -174.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.96 106.16 18.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.715 0.806 . . . . 74.51 110.249 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.753 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -83.35 92.17 7.48 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.629 0.771 . . . . 61.12 109.372 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.04 119.85 9.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.942 -1.026 . . . . 71.54 108.953 168.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.9 p-10 -61.75 -32.39 72.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.012 0.434 . . . . 63.2 111.061 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.23 8.42 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 119.674 -0.514 . . . . 74.23 113.693 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' O ' HG12 ' A' ' 23' ' ' ILE . 54.6 ttt180 -123.19 171.47 9.32 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.648 -0.871 . . . . 74.25 108.648 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 m -101.44 148.78 24.78 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 119.857 1.208 . . . . 72.33 112.249 -166.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.98 -49.44 75.74 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.495 0.718 . . . . 75.13 111.033 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.787 -0.642 . . . . 73.43 112.175 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -36.01 70.98 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.221 0.951 . . . . 74.14 110.734 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.92 -16.14 32.58 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.981 -0.554 . . . . 72.1 111.039 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 t30 63.33 64.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.571 1.148 . . . . 74.23 110.96 -169.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.69 114.29 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.322 -0.992 . . . . 55.12 108.322 165.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -101.42 174.97 5.73 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.278 0.631 . . . . 45.2 110.383 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -73.27 138.88 45.76 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.181 0.593 . . . . 34.31 110.741 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.51 31.0 20.71 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.283 1.433 . . . . 75.02 112.714 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -85.36 140.25 30.92 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 109.701 -0.481 . . . . 74.2 109.701 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.82 120.57 39.96 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.037 0.446 . . . . 64.44 112.098 -171.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 43' ' ' LEU . 6.9 tt -110.15 130.6 55.51 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.284 1.434 . . . . 71.12 108.874 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.718 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 11.8 tt -94.75 139.1 19.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 123.293 0.637 . . . . 54.04 110.142 173.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.13 110.1 22.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.559 0.743 . . . . 62.05 110.355 174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 89.5 mt -96.36 116.02 28.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.555 -1.202 . . . . 61.33 108.427 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.502 HD13 HG13 ' B' ' 108' ' ' VAL . 10.5 mp -75.3 170.47 16.02 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.286 -0.635 . . . . 62.21 109.286 169.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -35.03 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.14 1.376 . . . . 73.11 113.655 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' C' ' 760' ' ' ALA . 9.3 tt -62.56 -54.01 46.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.504 -1.226 . . . . 64.3 109.927 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 114.526 -1.215 . . . . 65.11 107.97 -178.186 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.285 -0.326 . . . . 73.2 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -147.54 149.89 33.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.515 0.726 . . . . 73.2 110.184 -176.309 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -92.69 152.6 19.44 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.757 -0.656 . . . . 72.25 109.984 -173.153 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.9 pt -141.0 164.62 20.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 124.089 0.956 . . . . 65.04 110.176 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -105.01 135.74 45.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.739 -1.119 . . . . 70.21 108.429 174.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 67' ' ' LEU . 16.0 m -120.79 107.46 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.777 0.799 . . . . 75.4 110.471 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.718 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 3.4 m-20 -66.37 96.33 0.35 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.654 -1.157 . . . . 73.15 109.362 173.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 55.5 p -100.99 140.83 34.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 65.43 110.351 -175.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.3 p -128.17 123.35 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.397 0.679 . . . . 61.1 109.803 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -129.31 129.59 45.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.109 1.364 . . . . 75.24 108.598 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -80.24 142.34 34.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.0 0.52 . . . . 72.15 109.786 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 7' ' ' THR . 62.8 mttm -132.45 89.46 2.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.617 -0.882 . . . . 73.41 108.617 172.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.9 m -77.18 108.36 10.23 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.345 -0.843 . . . . 61.42 109.514 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.446 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 15.7 mm -92.0 104.52 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.037 -1.468 . . . . 61.24 107.037 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 95.8 m -90.28 111.8 23.13 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.597 -0.89 . . . . 44.35 108.597 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.25 162.53 25.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.73 -0.668 . . . . 63.22 109.483 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.0 tt0 -113.81 140.41 48.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.076 -1.083 . . . . 75.21 108.076 166.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.03 171.04 17.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 123.519 0.727 . . . . 70.32 109.925 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -114.77 151.97 45.91 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.272 0.629 . . . . 63.45 109.567 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.82 -37.19 28.51 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.837 2.358 . . . . 62.22 112.827 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 25.3 m -82.38 -8.12 59.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.123 -0.49 . . . . 72.33 111.187 -174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -74.65 149.79 39.85 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.572 -0.529 . . . . 73.12 109.572 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -85.5 169.09 13.93 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.005 0.815 . . . . 62.14 111.053 174.682 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.1 mm -72.13 -16.86 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.268 0.627 . . . . 63.23 110.47 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.425 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -62.12 -30.15 70.83 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 122.977 0.511 . . . . 75.33 110.583 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 38.3 m-80 -62.48 -48.43 79.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.748 -0.464 . . . . 74.34 109.748 172.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -44.87 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.614 0.766 . . . . 74.32 111.016 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' B' ' 124' ' ' GLU . 54.8 pttt -65.12 -37.34 87.13 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 122.372 0.269 . . . . 72.31 110.384 178.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.59 74.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 115.993 -0.548 . . . . 61.33 111.28 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 68.8 mmtt -71.33 -47.91 53.67 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 110.348 -0.242 . . . . 71.44 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' B' ' 136' ' ' ILE . 28.4 pt -67.88 -31.09 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 119.857 -0.116 . . . . 61.4 111.043 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.83 -48.2 55.28 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.63 0.372 . . . . 62.34 111.277 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.47 -49.56 76.31 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.759 0.79 . . . . 75.34 110.912 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -84.92 -55.52 4.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.406 -1.27 . . . . 50.31 110.44 -173.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -98.61 -21.1 16.63 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.618 0.229 . . . . 62.32 111.618 -167.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.91 14.05 68.09 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.778 -0.457 . . . . 40.54 113.5 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.44 HD12 ' HB ' ' B' ' 130' ' ' ILE . 69.2 mt -70.97 117.69 58.52 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 109.525 -0.546 . . . . 62.02 109.525 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.702 ' HB2' ' HG2' ' B' ' 140' ' ' GLN . 23.4 Cg_exo -62.47 122.93 11.52 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 123.159 2.573 . . . . 53.31 111.958 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -57.78 -38.56 92.46 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.654 2.903 . . . . 71.11 113.42 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.44 -30.77 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.623 0.769 . . . . 53.15 112.298 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.702 ' HG2' ' HB2' ' B' ' 137' ' ' PRO . 2.6 pt20 -111.02 27.89 9.25 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 120.994 0.426 . . . . 73.53 111.191 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.517 ' HG3' HD11 ' B' ' 169' ' ' LEU . 17.7 tt0 -70.75 82.38 0.63 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.05 -0.722 . . . . 74.22 109.05 169.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 126.85 41.28 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.079 -1.452 . . . . 63.41 107.079 172.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.705 HD21 ' H ' ' B' ' 150' ' ' LEU . 0.0 OUTLIER -141.23 153.14 45.11 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 122.941 0.497 . . . . 72.11 110.108 -176.583 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -119.39 110.12 16.58 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 106.847 -1.538 . . . . 52.04 106.847 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 165' ' ' SER . 64.7 t80 -108.75 99.73 9.05 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.802 -1.184 . . . . 74.11 107.802 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 45.83 32.83 1.37 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.935 0.894 . . . . 51.45 113.022 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.81 25.3 27.75 Favored Glycine 0 C--N 1.359 1.848 0 C-N-CA 123.117 0.389 . . . . 71.32 114.07 -176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -129.51 172.84 11.14 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.0 0.92 . . . . 63.44 110.759 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -117.51 134.89 54.36 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.616 -1.254 . . . . 64.21 107.616 163.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.705 ' H ' HD21 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.69 96.07 7.42 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.957 -1.498 . . . . 63.45 106.957 164.669 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.493 ' HB3' ' HD3' ' B' ' 154' ' ' ARG . 34.3 tt0 -73.44 132.55 43.08 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.045 -0.98 . . . . 65.44 110.234 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -43.47 -45.52 6.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.063 1.745 . . . . 73.43 113.823 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.74 15.54 19.52 Favored Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.819 -1.082 . . . . 63.34 115.432 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.493 ' HD3' ' HB3' ' B' ' 151' ' ' GLU . 0.8 OUTLIER -118.74 174.07 6.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 117.957 0.879 . . . . 73.21 111.391 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.0 p -97.45 173.45 7.17 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.708 1.203 . . . . 52.4 110.408 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.13 -35.77 71.86 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.707 -0.678 . . . . 74.33 109.459 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.4 t -66.49 -29.7 69.87 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.605 0.762 . . . . 34.15 111.074 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -54.8 -33.59 61.7 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.721 0.809 . . . . 74.21 111.781 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -102.59 -1.97 29.32 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.416 -0.811 . . . . 64.35 110.941 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.6 47.48 24.72 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.152 0.981 . . . . 63.41 109.994 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 9.5 mm -52.41 119.25 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 114.177 -1.374 . . . . 74.14 111.246 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -79.19 149.62 31.9 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 121.393 0.616 . . . . 73.41 110.77 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -63.02 126.25 26.7 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.351 -0.981 . . . . 63.4 108.351 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 72.09 35.45 1.27 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.35 1.031 . . . . 73.34 109.816 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.413 ' HB2' HG23 ' A' ' 3' ' ' ILE . 58.6 m -50.62 146.75 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 116.259 -0.428 . . . . 70.32 111.669 161.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.55 126.56 37.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.163 0.585 . . . . 62.15 110.119 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.46 156.78 44.35 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.375 0.67 . . . . 64.54 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.3 tt -106.63 110.67 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 73.14 110.165 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.517 HD11 ' HG3' ' B' ' 141' ' ' GLN . 7.6 tt -99.61 141.07 32.89 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.329 -0.989 . . . . 53.21 108.329 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -141.22 141.29 34.04 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.737 0.815 . . . . 73.52 108.92 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.433 ' HG ' HG23 ' B' ' 136' ' ' ILE . 7.0 mp -75.17 96.46 3.29 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.675 -0.861 . . . . 63.41 108.675 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 91.9 m -149.99 145.14 26.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.446 0.698 . . . . 71.41 110.122 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 34.2 tp -88.61 146.57 25.04 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.731 0.812 . . . . 65.31 109.151 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 109.148 -0.686 . . . . 73.15 109.148 -178.901 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 112.628 -0.189 . . . . 75.24 112.628 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 30.3 p -90.13 84.03 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.602 0.761 . . . . 52.3 111.036 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 72.67 -70.16 0.17 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.836 1.654 . . . . 74.44 112.786 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 12.4 m 79.49 -57.44 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.889 1.676 . . . . 51.32 110.537 -173.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.68 78.89 8.37 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.171 0.589 . . . . 71.42 110.054 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 29.4 p -165.91 115.38 0.99 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 64.33 109.21 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 142.88 62.9 0.02 OUTLIER Glycine 0 C--O 1.22 -0.72 0 N-CA-C 111.439 -0.664 . . . . 74.43 111.439 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 53.8 mtm 58.32 -99.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.682 1.193 . . . . 74.15 112.225 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.01 68.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.577 0.751 . . . . 63.31 110.311 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 57.99 37.86 26.73 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.884 1.365 . . . . 51.41 109.395 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.07 -68.25 0.1 Allowed 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.615 -1.175 . . . . 71.23 108.778 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.85 76.32 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.187 0.995 . . . . 74.04 111.462 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -48.82 51.1 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-N 113.925 -1.489 . . . . 73.3 111.183 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -46.49 -60.22 2.49 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 125.303 1.627 . . . . 45.05 110.392 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 14.7 ptpt -60.03 -42.53 94.59 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 123.898 0.749 . . . . 71.41 111.998 -170.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.31 -57.79 11.47 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.98 0.8 . . . . 64.22 111.491 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.27 -21.41 62.1 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.42 -0.809 . . . . 71.33 110.689 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -84.06 -27.8 28.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.565 1.146 . . . . 65.41 110.365 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 62.3 mt -69.5 -37.13 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.368 -0.975 . . . . 71.14 108.368 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.68 -40.44 97.11 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.794 -0.639 . . . . 73.03 109.437 171.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -40.18 93.57 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.298 0.639 . . . . 51.21 111.383 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.479 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 35.0 m-85 -66.46 -33.33 75.45 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.854 0.359 . . . . 63.34 110.559 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -73.09 -29.76 63.17 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.691 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 88.5 m -64.06 -37.48 87.58 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.283 -0.636 . . . . 71.53 109.283 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.653 ' HE1' HG21 ' A' ' 44' ' ' ILE . 24.9 m-85 -63.73 -66.38 0.55 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.525 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -35.63 69.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 124.243 0.964 . . . . 71.43 111.652 -167.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' C' ' 817' ' ' LEU . 32.3 tt0 -70.91 -49.54 44.63 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.411 0.284 . . . . 71.51 110.404 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -73.03 -23.14 60.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.861 0.689 . . . . 75.02 112.861 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.759 ' HE1' HD11 ' C' ' 765' ' ' LEU . 5.3 ppp? -88.38 -48.65 7.48 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 119.154 -0.45 . . . . 61.25 110.092 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.479 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 18.6 mt -69.32 -16.45 63.55 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 118.498 0.59 . . . . 74.23 112.529 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 7.8 t -71.14 -21.33 62.21 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.457 0.571 . . . . 54.23 110.073 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -98.01 -62.43 1.25 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.587 0.755 . . . . 70.24 110.256 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.759 HD11 ' HE1' ' C' ' 761' ' ' MET . 0.3 OUTLIER -96.94 64.04 1.98 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.395 1.093 . . . . 71.33 110.319 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.27 79.92 1.32 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.352 -1.295 . . . . 65.4 112.025 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m 162.99 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 126.725 2.01 . . . . 73.1 109.091 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.565 HD22 ' HG2' ' C' ' 772' ' ' ARG . 95.5 mt -134.29 142.31 47.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.17 0.588 . . . . 71.14 110.457 175.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.8 t -69.62 160.62 31.22 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 108.646 -0.872 . . . . 64.42 108.646 163.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.407 HD21 HD12 ' C' ' 795' ' ' LEU . 2.7 tt -57.26 -30.73 64.9 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.953 0.501 . . . . 74.32 110.585 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 771' ' ' ASP . . . . . 0.496 ' HB2' HH11 ' C' ' 772' ' ' ARG . 7.8 m-20 -49.44 -37.3 25.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.471 1.108 . . . . 72.53 113.394 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.565 ' HG2' HD22 ' C' ' 768' ' ' LEU . 6.9 mpt_? -70.94 -66.43 0.61 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.869 0.467 . . . . 64.33 109.975 -174.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.556 HD13 HD21 ' C' ' 799' ' ' LEU . 2.4 pp -62.45 -24.5 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.858 -0.61 . . . . 75.44 111.791 -178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 23.9 t80 -64.02 -60.42 3.27 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 123.257 0.623 . . . . 74.11 109.776 170.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -54.76 -36.27 64.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.537 1.135 . . . . 70.4 111.746 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 76.7 mtp -72.6 -53.89 10.64 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.434 -0.803 . . . . 63.31 111.524 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.87 -35.7 73.42 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 120.798 0.332 . . . . 65.31 110.645 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' C' ' 781' ' ' VAL . 10.3 tpt180 -67.87 -38.28 82.86 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.291 1.036 . . . . 73.14 110.169 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 44.9 ttp -58.73 -57.43 13.06 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.426 -0.583 . . . . 75.21 109.426 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -57.23 -40.04 76.73 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.6 0.562 . . . . 63.44 112.313 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.598 HG11 HG12 ' C' ' 790' ' ' ILE . 31.7 m -68.69 -43.32 83.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 118.987 -0.53 . . . . 74.54 112.039 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.81 -32.62 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.5 0.591 . . . . 73.35 112.197 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 24.7 p -72.83 -25.76 61.24 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.054 0.541 . . . . 74.23 111.878 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.2 -160.47 9.69 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 115.466 -0.788 . . . . 75.03 112.311 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.56 4.15 7.06 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 123.193 2.595 . . . . 74.44 112.292 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -57.17 99.64 0.04 OUTLIER 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.466 1.104 . . . . 75.03 111.856 -170.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 81.1 mt 63.67 2.17 1.22 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.306 1.443 . . . . 70.43 113.278 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 49.67 57.79 6.13 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.023 0.929 . . . . 74.22 112.343 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 66.32 114.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.381 1.472 . . . . 74.33 113.247 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.598 HG12 HG11 ' C' ' 781' ' ' VAL . 21.0 pt -101.24 161.46 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.025 0.93 . . . . 70.14 110.155 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.25 -171.26 2.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.692 -0.685 . . . . 74.12 109.188 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 792' ' ' LEU . . . . . 0.548 ' O ' ' HB3' ' C' ' 796' ' ' GLN . 4.0 mm? -60.6 -26.54 67.05 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.041 0.756 . . . . 51.04 113.041 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -57.67 -54.6 45.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.157 0.979 . . . . 53.13 109.568 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 794' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' C' ' 790' ' ' ILE . 16.4 mm-40 -70.98 -40.45 71.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 112.957 -1.929 . . . . 74.24 109.578 -173.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.658 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -68.3 -62.78 1.24 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.935 -1.029 . . . . 64.23 110.011 -177.06 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 796' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' C' ' 792' ' ' LEU . 7.1 tt0 -55.2 -40.55 70.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.504 0.722 . . . . 73.41 110.665 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.6 -34.71 90.67 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.89 0.744 . . . . 43.43 113.142 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -65.39 -51.15 62.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.913 0.885 . . . . 73.14 110.328 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.556 HD21 HD13 ' C' ' 773' ' ' ILE . 3.9 mm? -60.09 -48.51 81.4 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 115.882 -0.599 . . . . 53.15 110.673 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -50.62 -46.21 58.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.016 1.326 . . . . 65.43 110.727 176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.68 -56.07 26.97 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.074 0.859 . . . . 73.32 110.499 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.6 mmtt -58.33 -31.14 67.28 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.963 0.727 . . . . 75.15 112.963 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 92.0 t -72.76 -45.89 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 122.566 0.346 . . . . 75.52 110.105 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.72 -23.02 66.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.248 0.619 . . . . 72.04 111.605 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.38 2.51 52.46 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.128 0.971 . . . . 71.2 111.6 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 15.17 5.88 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 125.246 1.418 . . . . 74.41 111.707 -175.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.47 -18.19 27.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.63 1.172 . . . . 75.43 111.251 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' C' ' 817' ' ' LEU . 0.8 OUTLIER -147.16 134.76 20.99 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 107.847 -1.168 . . . . 72.01 107.847 -175.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.38 149.37 8.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.97 0.89 . . . . 74.2 111.115 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.81 108.64 17.02 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 113.236 -1.802 . . . . 75.03 107.646 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 32.2 t -84.92 -147.33 0.1 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.243 -1.021 . . . . 74.32 108.243 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.09 77.57 0.94 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.226 0.921 . . . . 73.34 110.664 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.88 14.85 81.25 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.75 -0.659 . . . . 44.04 113.842 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 146.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 123.0 0.52 . . . . 75.3 110.728 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.87 143.31 29.32 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 123.983 0.913 . . . . 70.32 111.97 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.43 ' O ' HD23 ' C' ' 808' ' ' LEU . 27.9 ptt180 -160.36 158.72 30.13 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.939 -1.028 . . . . 75.03 110.116 170.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.615 HD23 ' HG ' ' C' ' 808' ' ' LEU . 96.4 mt -82.28 133.4 50.62 Favored Pre-proline 0 N--CA 1.474 0.766 0 CA-C-O 119.704 -0.189 . . . . 71.43 111.426 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.07 111.84 3.36 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.75 2.3 . . . . 63.55 111.059 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -98.96 -13.61 19.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 122.905 0.482 . . . . 62.23 110.703 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -163.05 -56.9 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.72 0.808 . . . . 75.15 110.62 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 63.5 m 58.58 178.51 0.07 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.298 1.439 . . . . 61.03 111.995 -169.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.562 1.44 0 CA-C-O 117.798 -1.096 . . . . 44.12 109.931 -175.6 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 112.442 -0.263 . . . . 51.3 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -124.06 156.72 36.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.851 0.861 . . . . 74.43 109.539 -175.671 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' B' ' 163' ' ' LYS . 12.9 mm-40 -89.29 165.78 14.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.115 0.483 . . . . 71.53 110.466 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -139.05 147.22 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 124.079 0.952 . . . . 74.34 109.818 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 14.6 m-85 -110.6 108.47 18.42 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.446 -1.316 . . . . 53.21 107.446 165.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.75 114.83 42.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 108.569 -0.9 . . . . 63.13 108.569 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -87.74 99.69 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.82 -1.082 . . . . 70.2 108.888 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -93.07 116.31 28.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.14 -0.936 . . . . 73.02 108.512 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.68 141.2 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.748 0.819 . . . . 71.33 110.897 -171.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -133.73 85.0 2.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.068 0.947 . . . . 70.55 109.217 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' HA ' ' O ' ' B' ' 107' ' ' THR . 30.8 t-105 -92.14 106.17 18.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.642 -0.873 . . . . 73.11 108.642 172.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -162.24 154.89 19.7 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 115.042 -0.981 . . . . 62.24 110.362 -170.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 92.4 m -74.97 138.2 42.12 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.744 1.218 . . . . 64.35 111.471 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mm -109.07 112.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 108.866 -0.79 . . . . 73.31 108.866 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.477 HG22 ' CD1' ' B' ' 104' ' ' PHE . 28.5 p -84.09 115.9 22.61 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.597 -0.52 . . . . 72.44 109.597 173.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 154.81 42.58 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 120.733 0.302 . . . . 75.52 110.836 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 136.84 35.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.09 0.956 . . . . 71.04 109.127 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.57 162.45 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 122.919 0.488 . . . . 64.34 110.306 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 7.8 mm-40 -100.47 138.18 20.11 Favored Pre-proline 0 C--N 1.346 0.442 0 C-N-CA 123.968 0.907 . . . . 73.44 109.822 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 39.5 Cg_endo -65.16 -33.4 49.8 Favored 'Trans proline' 0 C--N 1.366 1.482 0 C-N-CA 122.702 2.268 . . . . 53.21 112.476 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -91.76 -0.79 57.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.995 0.518 . . . . 75.32 111.739 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 4.0 t70 -90.96 165.07 13.75 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 108.937 -0.764 . . . . 53.1 108.937 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 10.6 p -83.42 161.26 21.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.158 0.583 . . . . 72.02 111.851 176.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.635 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 33.3 mm -62.36 -25.19 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.841 1.257 . . . . 73.01 110.499 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 5.9 tp10 -44.68 -40.16 5.69 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.479 1.512 . . . . 74.52 111.234 168.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.3 t-20 -53.27 -59.5 4.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.743 0.817 . . . . 74.31 110.264 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.34 -52.81 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.267 0.979 . . . . 62.23 110.575 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -67.91 -30.85 70.27 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.412 -0.813 . . . . 60.12 112.013 -175.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.35 65.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.325 0.25 . . . . 75.2 111.173 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.7 mmpt? -72.91 -39.52 66.25 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.533 0.333 . . . . 73.1 111.052 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 36' ' ' ILE . 17.1 pt -74.68 -29.09 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 CA-C-N 117.56 0.164 . . . . 73.54 110.58 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.69 -34.94 74.63 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.763 0.316 . . . . 74.42 110.94 170.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.42 -49.39 55.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.429 0.692 . . . . 52.44 110.738 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -87.74 -58.81 2.44 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.177 -0.919 . . . . 72.13 111.888 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -87.92 -14.05 40.3 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 122.257 -0.277 . . . . 60.35 111.403 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.66 33.92 45.59 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.166 0.291 . . . . 61.14 113.519 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.6 HD12 ' HB ' ' A' ' 30' ' ' ILE . 51.2 mt -88.04 123.95 67.79 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.464 0.706 . . . . 71.13 110.244 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.0 Cg_endo -80.81 105.12 1.64 Allowed 'Trans proline' 0 CA--C 1.561 1.826 0 C-N-CA 122.672 2.248 . . . . 73.21 111.212 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 43.1 Cg_endo -64.0 -27.46 66.15 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.53 2.82 . . . . 70.22 113.496 -170.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.29 -43.39 61.63 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.802 1.241 . . . . 74.02 111.469 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 5.3 pt20 -112.22 26.36 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.689 0.796 . . . . 73.0 110.241 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.46 118.12 22.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.162 0.985 . . . . 61.53 110.304 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.9 97.74 8.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.28 1.432 . . . . 71.22 109.457 175.511 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.85 114.22 18.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.216 -1.401 . . . . 70.32 107.216 170.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.54 HG12 ' HG2' ' A' ' 49' ' ' GLN . 37.9 mt -124.24 139.61 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 118.962 0.801 . . . . 72.41 110.87 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 61' ' ' ILE . 1.1 t80 -126.97 101.67 6.66 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 125.435 1.494 . . . . 73.2 108.097 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.56 32.97 21.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.797 0.686 . . . . 44.22 112.254 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.49 6.94 58.32 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 115.068 0.787 . . . . 42.23 115.068 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -114.71 113.07 23.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.163 0.585 . . . . 73.2 109.789 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.54 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.5 mt-30 -73.34 110.35 7.56 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.765 -0.828 . . . . 65.53 108.765 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.8 101.52 2.62 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.657 0.783 . . . . 72.32 110.449 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 128.21 33.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 107.804 -1.184 . . . . 72.0 107.804 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.635 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.0 p-10 -56.66 -28.6 61.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.603 1.561 . . . . 73.12 114.368 -164.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.89 -18.38 74.29 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.797 -0.638 . . . . 75.42 114.161 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.79 174.72 9.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 117.497 0.648 . . . . 61.42 110.028 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 16.4 m -97.36 160.12 14.52 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.03 0.932 . . . . 74.11 109.631 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.53 -51.64 66.6 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.283 0.563 . . . . 44.23 110.256 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.67 -22.75 67.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.21 0.604 . . . . 75.43 112.083 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' THR . 22.4 t70 -56.51 -33.89 66.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.869 0.868 . . . . 61.33 111.173 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.74 -3.2 33.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.124 0.569 . . . . 71.35 111.637 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 t30 58.16 63.62 1.71 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.723 0.773 . . . . 72.34 109.503 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 45' ' ' PHE . 2.5 mm -77.17 108.62 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.13 -0.941 . . . . 74.55 108.73 177.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -84.92 -173.67 4.85 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.026 -0.534 . . . . 75.2 110.228 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.558 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 4.6 ttmp? -81.66 148.2 29.15 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.855 0.462 . . . . 75.42 109.82 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 39.9 mt-10 58.68 27.7 16.21 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.026 1.331 . . . . 72.52 112.724 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB2' HG22 ' B' ' 103' ' ' ILE . 53.9 m -62.43 115.13 3.96 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 123.23 0.612 . . . . 55.03 110.396 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.38 9.23 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.994 0.426 . . . . 71.43 110.245 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.623 HD23 HG22 ' B' ' 105' ' ' VAL . 0.3 OUTLIER -89.29 157.99 18.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.522 0.729 . . . . 73.1 109.673 178.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -125.06 129.84 73.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.828 0 CA-C-O 121.237 0.541 . . . . 63.35 110.081 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD12 ' HB ' ' B' ' 107' ' ' THR . 95.9 mt -100.05 105.61 17.28 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.148 -0.933 . . . . 73.14 109.989 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 90.0 mt -97.66 113.83 25.66 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.473 -0.936 . . . . 73.25 108.473 173.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 tp -74.75 168.01 20.7 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 118.789 0.722 . . . . 72.33 109.418 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 1.1 m -29.9 113.38 0.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.965 2.106 . . . . 75.22 115.075 -169.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' C' ' 760' ' ' ALA . 2.3 tm? -160.66 -77.74 0.06 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.607 0.763 . . . . 71.54 108.984 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 123.667 0.787 . . . . 75.43 108.919 177.435 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.634 -0.586 . . . . 73.14 111.634 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.41 163.02 30.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.102 0.561 . . . . 75.45 110.203 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.424 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 30.8 mm-40 -95.5 153.21 17.81 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.76 -1.2 . . . . 44.41 107.76 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 65' ' ' SER . 27.0 pt -144.13 147.46 19.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 C-N-CA 123.02 0.528 . . . . 71.12 110.091 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.477 ' CD1' HG22 ' A' ' 14' ' ' THR . 12.5 m-30 -106.43 100.45 9.97 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.154 -1.054 . . . . 61.13 108.154 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 67' ' ' LEU . 47.9 t -101.6 103.18 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 108.347 -0.983 . . . . 75.01 108.347 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 6.3 t0 -83.59 124.45 30.8 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.99 -0.745 . . . . 74.11 108.99 -172.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.544 ' HB ' HD12 ' A' ' 69' ' ' LEU . 10.2 t -122.71 144.27 49.26 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.762 0.825 . . . . 73.33 110.759 -172.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.44 109.27 27.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.855 -0.795 . . . . 73.11 108.855 162.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 87.46 4.39 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.037 -1.468 . . . . 72.12 107.037 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -98.16 142.14 30.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.171 0.988 . . . . 63.34 109.834 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.88 149.69 16.53 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.091 -0.959 . . . . 72.22 109.68 167.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.1 m -102.99 126.97 50.39 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.391 0.676 . . . . 73.44 109.536 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -106.15 137.01 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 107.618 -1.253 . . . . 71.43 107.618 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.7 m -111.65 124.1 51.61 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.884 -0.414 . . . . 74.03 109.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 169.24 17.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.01 0.524 . . . . 73.52 110.594 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -112.93 144.21 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.6 -0.889 . . . . 75.51 108.6 170.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.424 HG22 ' H ' ' B' ' 118' ' ' GLU . 5.2 p -141.68 -178.11 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 N-CA-C 108.915 -0.772 . . . . 71.24 108.915 174.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.424 ' H ' HG22 ' B' ' 117' ' ' VAL . 41.2 mt-10 -128.43 149.74 72.42 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 108.84 -0.8 . . . . 73.2 108.84 176.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 -34.81 98.61 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.061 2.508 . . . . 50.12 112.481 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.5 m -78.24 -9.23 59.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.198 -0.91 . . . . 74.11 111.939 -175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.62 170.86 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.303 0.573 . . . . 73.35 110.687 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -110.36 155.79 21.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.92 -1.036 . . . . 73.2 111.258 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.78 -23.88 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 113.986 -1.461 . . . . 72.44 111.575 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.3 pt-20 -54.11 -35.17 61.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.567 0.747 . . . . 61.42 111.201 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -66.24 -47.57 73.35 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.659 0.784 . . . . 74.44 110.71 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.92 -46.98 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.394 0.678 . . . . 74.23 110.422 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 55.8 pttt -68.39 -36.67 79.48 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.812 -0.631 . . . . 75.13 111.04 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.14 79.88 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.667 0.387 . . . . 61.22 110.764 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.64 -37.06 60.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.331 0.652 . . . . 65.53 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -68.59 -34.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.602 0.637 . . . . 70.31 109.583 173.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -66.3 -40.21 89.85 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.761 0.424 . . . . 74.34 111.163 172.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.5 -51.35 52.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 71.31 111.371 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -89.64 -53.93 4.3 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.829 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.5 -8.97 49.0 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.194 -169.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.8 73.53 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 123.322 0.389 . . . . 61.33 113.256 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' B' ' 141' ' ' GLN . 73.4 mt -85.56 127.1 64.54 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 124.052 0.941 . . . . 73.32 110.833 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.49 107.4 1.21 Allowed 'Trans proline' 0 CA--C 1.56 1.812 0 C-N-CA 122.521 2.147 . . . . 63.23 110.9 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 44.9 Cg_endo -63.36 -39.28 38.21 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.501 2.8 . . . . 71.54 114.444 -165.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 -29.46 28.83 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.422 0.689 . . . . 71.53 110.962 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -76.55 -20.12 57.19 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.408 1.083 . . . . 65.01 110.503 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' B' ' 171' ' ' LEU . 15.2 mm-40 -117.81 98.59 6.43 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.951 -0.759 . . . . 70.42 108.951 175.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' B' ' 173' ' ' LEU . 3.9 mpt_? -77.59 104.9 8.39 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.128 -0.693 . . . . 74.31 109.128 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 126.5 28.81 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 114.874 -1.057 . . . . 72.33 108.892 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 144' ' ' ASP . . . . . 0.748 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 25.3 t70 -113.39 151.43 31.31 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.87 1.268 . . . . 63.1 110.847 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.486 ' HB2' HD21 ' B' ' 150' ' ' LEU . 10.3 t80 -142.26 107.31 4.94 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.98 0.912 . . . . 75.12 109.341 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.92 24.52 14.61 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.295 1.038 . . . . 71.44 112.803 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.33 5.91 60.24 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.187 -0.229 . . . . 60.14 113.569 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -129.65 117.81 20.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.397 -0.964 . . . . 74.44 108.397 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.748 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 5.0 pp0? -71.29 152.7 43.01 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.813 0.339 . . . . 71.2 110.842 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.692 HD21 HD23 ' B' ' 167' ' ' LEU . 1.6 mm? -86.37 109.74 19.22 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.415 -0.958 . . . . 74.01 108.415 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 4.8 tt0 -56.18 132.29 50.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.881 -0.785 . . . . 64.21 108.881 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -60.99 -31.31 70.92 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.167 0.987 . . . . 65.05 112.731 -168.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.06 12.33 57.4 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.313 -0.403 . . . . 33.31 113.394 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.639 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 7.2 tpt180 -85.54 175.1 8.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.083 0.553 . . . . 64.22 110.305 -173.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -102.18 152.29 21.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.535 0.734 . . . . 62.25 110.042 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.402 HD13 HD12 ' B' ' 161' ' ' ILE . 4.3 mm? -64.65 -42.02 95.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.091 0.556 . . . . 51.04 110.714 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -68.34 -24.88 64.87 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.346 -0.843 . . . . 63.13 111.735 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.57 -30.81 67.45 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.267 0.627 . . . . 75.03 111.132 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.542 ' HB2' HG13 ' B' ' 161' ' ' ILE . 89.2 m-85 -100.52 -7.25 24.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.05 0.54 . . . . 71.01 110.441 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.2 t30 49.82 58.94 4.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.966 1.307 . . . . 71.11 110.121 -168.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.542 HG13 ' HB2' ' B' ' 159' ' ' TYR . 9.2 mt -71.71 120.49 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 114.604 -1.18 . . . . 62.33 110.031 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.2 162.15 13.15 Favored 'General case' 0 C--O 1.262 1.76 0 CA-C-N 115.49 -0.777 . . . . 71.1 109.737 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -53.52 138.28 34.31 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.547 -1.206 . . . . 74.42 110.394 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 164' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 pt-20 70.8 16.2 6.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.701 1.601 . . . . 74.33 112.73 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 37.5 p -51.18 125.84 15.05 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 123.351 0.407 . . . . 53.2 110.649 173.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.03 108.95 21.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.698 0.399 . . . . 52.04 110.003 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.692 HD23 HD21 ' B' ' 150' ' ' LEU . 1.0 OUTLIER -115.8 149.96 37.71 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.324 -1.361 . . . . 74.04 107.324 -177.56 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.86 140.33 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 119.719 1.145 . . . . 62.12 110.805 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.4 HD21 HG21 ' B' ' 136' ' ' ILE . 9.3 mp -70.51 132.74 45.98 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.536 0.335 . . . . 51.43 110.451 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.68 147.65 31.59 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 107.988 -1.116 . . . . 62.03 107.988 165.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.495 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 7.6 mp -70.21 155.39 40.71 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 118.636 -0.697 . . . . 73.13 109.414 172.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 9.0 t -37.14 90.91 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 122.685 1.231 . . . . 63.21 114.279 -176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.504 ' H ' ' HD3' ' B' ' 142' ' ' ARG . 60.0 tp -153.77 127.16 8.57 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 113.844 -1.525 . . . . 62.13 108.603 175.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 CA--C 1.558 1.251 0 C-N-CA 124.081 0.953 . . . . 72.21 108.698 179.836 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 CA-C-O 120.008 -0.329 . . . . 72.0 112.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 31.4 p -162.58 104.96 1.08 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.769 0.828 . . . . 72.32 109.864 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.26 130.92 37.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.826 0.85 . . . . 74.44 109.265 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.4 m -79.74 -35.01 39.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.139 0.575 . . . . 71.45 109.907 177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.7 95.25 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.175 1.39 . . . . 64.22 110.23 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 48.3 t -84.51 172.23 11.84 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.429 -0.805 . . . . 70.04 110.686 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 114.1 62.29 0.41 Allowed Glycine 0 C--N 1.341 0.809 0 N-CA-C 110.177 -1.169 . . . . 53.42 110.177 -171.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 82.5 mmm -122.91 -74.6 0.61 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.683 0.793 . . . . 75.03 110.676 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -92.5 -17.99 23.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.572 0.749 . . . . 71.02 112.377 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 40.8 m 68.68 9.99 7.64 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.189 1.396 . . . . 73.31 113.342 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 743' ' ' GLN . . . . . 0.445 ' HG2' ' HE3' ' C' ' 747' ' ' LYS . 44.8 tt0 -148.39 -54.65 0.2 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.945 0.498 . . . . 74.31 109.889 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.19 65.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.329 -0.85 . . . . 72.23 110.764 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.44 -50.1 74.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.893 1.277 . . . . 73.31 110.527 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -62.26 -58.58 7.22 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 115.325 -0.852 . . . . 75.05 110.677 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.445 ' HE3' ' HG2' ' C' ' 743' ' ' GLN . 15.1 ptpt -63.81 -39.85 95.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 114.584 -1.189 . . . . 75.24 111.753 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.9 -49.5 73.23 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 123.765 0.665 . . . . 74.12 110.876 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.4 -21.62 59.55 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.79 0.681 . . . . 75.51 111.486 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.01 -49.27 73.08 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.785 -0.82 . . . . 71.23 108.785 167.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 43.4 mt -66.38 -33.8 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.89 0.744 . . . . 73.41 111.3 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.27 -36.44 71.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.324 -0.991 . . . . 74.31 108.324 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -49.54 65.62 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.551 0.741 . . . . 73.43 110.132 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 28.3 m-85 -55.83 -39.64 71.7 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.551 0.74 . . . . 70.31 109.973 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.485 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 4.9 t-105 -67.33 -40.64 85.93 Favored 'General case' 0 C--O 1.197 -1.693 0 CA-C-N 114.164 -1.38 . . . . 75.24 110.202 177.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 42.3 m -64.73 -35.36 80.81 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.838 0.744 . . . . 60.02 110.555 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.482 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 37.5 m-85 -61.39 -61.86 2.24 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 122.916 0.486 . . . . 75.33 110.144 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.563 HD11 HD11 ' C' ' 777' ' ' LEU . 50.3 mt -62.74 -37.23 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.922 0.764 . . . . 72.02 111.154 -176.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' C' ' 817' ' ' LEU . 8.0 tt0 -68.37 -54.84 14.57 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.093 0.557 . . . . 72.2 109.816 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -73.01 -27.31 61.71 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.484 -0.78 . . . . 74.34 112.305 -172.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.1 ptm -70.34 -50.36 39.9 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.42 -0.956 . . . . 74.43 108.42 170.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' C' ' 816' ' ' ARG . 15.1 mt -68.39 -13.11 62.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.349 0.66 . . . . 74.14 112.749 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.403 ' HA ' ' HE2' ' C' ' 819' ' ' LYS . 22.9 m -73.11 -22.93 60.46 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.67 0.788 . . . . 63.31 110.659 173.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -107.88 -68.02 0.93 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.24 -0.652 . . . . 64.44 109.24 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.551 HD12 HD23 ' C' ' 768' ' ' LEU . 0.4 OUTLIER -86.66 68.86 10.27 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.313 1.054 . . . . 74.41 108.892 -177.088 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.565 ' HB2' ' HG3' ' C' ' 816' ' ' ARG . 12.6 pt-20 -74.56 78.13 1.97 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.053 -1.431 . . . . 74.44 111.245 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 18.6 m 157.52 117.76 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 128.4 2.68 . . . . 71.22 108.464 168.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.551 HD23 HD12 ' C' ' 765' ' ' LEU . 1.0 OUTLIER -162.93 159.42 23.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.014 0.925 . . . . 72.42 109.989 176.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 769' ' ' SER . . . . . 0.454 ' OG ' ' HG3' ' C' ' 772' ' ' ARG . 78.9 p -80.97 156.68 25.83 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 120.969 0.414 . . . . 50.44 110.034 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' C' ' 799' ' ' LEU . 7.2 tp -58.46 -33.39 69.69 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.941 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.28 -41.45 88.94 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.318 1.047 . . . . 74.13 111.351 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.454 ' HG3' ' OG ' ' C' ' 769' ' ' SER . 61.2 mtp180 -62.52 -59.64 4.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.283 -0.872 . . . . 72.42 110.551 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.74 -21.62 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 115.676 -0.693 . . . . 72.34 111.832 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.57 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 53.6 t80 -60.66 -54.38 46.0 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.817 -0.808 . . . . 62.23 108.817 169.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -60.5 -36.0 77.29 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 123.778 0.674 . . . . 72.11 111.547 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.41 -60.7 3.39 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.413 0.446 . . . . 72.3 110.189 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.563 HD11 HD11 ' C' ' 758' ' ' ILE . 8.4 mt -52.74 -34.23 51.76 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.656 0.783 . . . . 73.2 112.154 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.588 ' HA ' HG12 ' C' ' 781' ' ' VAL . 0.0 OUTLIER -65.18 -47.34 77.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.448 0.699 . . . . 75.11 111.238 177.806 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.7 tpt -50.96 -49.37 60.16 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.157 0.911 . . . . 64.25 110.368 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -74.88 -26.5 59.71 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 113.043 0.757 . . . . 74.01 113.043 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.5 p -89.68 -17.29 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.699 0.4 . . . . 72.55 111.338 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 -35.78 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 122.281 -0.262 . . . . 74.15 110.405 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.1 p -65.53 -27.16 68.26 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 111.859 0.318 . . . . 54.42 111.859 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.94 174.46 15.56 Favored Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.541 -1.024 . . . . 64.34 110.541 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.93 -33.46 15.89 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 121.954 1.77 . . . . 75.32 110.891 168.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' C' ' 781' ' ' VAL . . . 40.14 -87.23 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.502 1.921 . . . . 64.05 113.963 -171.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 787' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 751' ' ' LEU . 5.5 mp -129.07 37.3 4.08 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.657 0.783 . . . . 44.35 109.655 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 58.65 36.3 24.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.266 1.026 . . . . 43.03 111.239 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 74.65 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.197 1.799 . . . . 70.25 110.832 -169.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.419 HG12 HG11 ' C' ' 781' ' ' VAL . 8.2 pt -81.42 172.32 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.21 1.004 . . . . 74.44 109.948 171.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -129.12 175.7 8.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.386 0.674 . . . . 73.22 110.099 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.08 -44.93 94.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.136 0.974 . . . . 74.22 111.792 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -62.83 -32.72 73.98 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.921 0.391 . . . . 61.34 110.445 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.26 -37.98 51.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.133 -0.94 . . . . 74.2 109.758 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.57 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.0 OUTLIER -70.37 -62.22 1.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.64 1.176 . . . . 74.5 109.103 -179.017 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -54.17 -46.38 72.32 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.995 0.918 . . . . 64.5 110.695 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.47 -43.15 77.18 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.984 0.803 . . . . 70.31 113.153 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 21.8 t80 -58.27 -55.2 38.09 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.318 1.047 . . . . 74.01 110.711 176.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.5 mm? -63.51 -49.65 72.73 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.789 -1.096 . . . . 73.05 111.885 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.13 -30.49 71.42 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.677 0.611 . . . . 74.31 110.041 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -55.58 31.68 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 108.623 -0.88 . . . . 73.32 108.623 171.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -53.31 -38.82 63.51 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.927 0.767 . . . . 73.02 112.583 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 799' ' ' LEU . 50.0 t -65.77 -47.53 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.776 -0.453 . . . . 72.12 109.776 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -79.21 -5.21 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.491 0.716 . . . . 74.31 112.381 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -91.56 1.46 57.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.716 1.206 . . . . 73.5 110.876 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 12.1 7.07 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.618 1.567 . . . . 54.22 112.015 -173.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.77 -32.39 25.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.893 0.877 . . . . 64.41 110.718 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' C' ' 815' ' ' TYR . 60.8 tp -134.95 143.01 46.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.899 1.28 . . . . 75.14 109.009 -168.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 809' ' ' VAL . . . . . 0.481 HG22 ' O ' ' C' ' 816' ' ' ARG . 10.8 m -105.61 152.01 7.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 43.31 110.064 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.0 110.08 15.83 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.683 1.193 . . . . 62.31 108.18 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 20.8 t -85.63 -148.71 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.819 -1.178 . . . . 64.52 107.819 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.58 76.04 1.08 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.948 0.794 . . . . 41.31 111.097 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.74 81.89 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.698 -0.683 . . . . 75.24 113.348 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.92 153.38 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.049 0.539 . . . . 74.1 110.283 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 815' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' C' ' 808' ' ' LEU . 46.9 m-85 -102.71 142.77 33.31 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.27 0.628 . . . . 72.43 110.943 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.565 ' HG3' ' HB2' ' C' ' 766' ' ' GLU . 50.8 ttt180 -145.68 136.7 24.64 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.102 1.361 . . . . 64.03 109.068 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' C' ' 759' ' ' GLN . 24.3 mt -87.84 128.61 53.55 Favored Pre-proline 0 N--CA 1.475 0.806 0 O-C-N 122.049 -0.407 . . . . 64.4 110.872 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 818' ' ' PRO . . . . . 0.431 ' HB2' ' O ' ' C' ' 820' ' ' ASN . 76.6 Cg_endo -82.15 138.17 9.95 Favored 'Trans proline' 0 C--N 1.369 1.631 0 C-N-CA 122.72 2.28 . . . . 71.15 110.634 167.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 819' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' C' ' 763' ' ' THR . 30.2 mmtp -75.93 -20.64 57.8 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.162 0.506 . . . . 62.4 110.664 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 820' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' C' ' 818' ' ' PRO . 7.5 p30 -108.66 119.22 38.88 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.655 -1.609 . . . . 72.21 106.655 159.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 81.4 m -72.15 80.7 0.97 Allowed 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 121.303 0.573 . . . . 72.13 111.438 -173.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.288 1.435 . . . . 70.32 107.498 -179.177 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.731 -0.548 . . . . 51.22 111.731 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.87 -177.95 6.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.064 0.945 . . . . 73.12 110.268 -175.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.452 ' HB3' ' HG2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -135.53 134.33 39.33 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.142 -1.058 . . . . 72.02 108.142 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.74 156.74 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 109.27 -0.641 . . . . 62.24 109.27 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' HB3' HG23 ' B' ' 112' ' ' THR . 21.8 m-85 -95.96 128.37 42.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 61.54 109.158 170.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.594 HG23 ' HB ' ' B' ' 113' ' ' ILE . 3.0 m -110.28 106.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 108.537 -0.912 . . . . 71.34 108.537 172.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 14.3 m-20 -78.59 99.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.161 1.384 . . . . 75.34 109.663 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.688 HG22 HD22 ' B' ' 169' ' ' LEU . 40.7 p -87.71 102.46 14.66 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 174.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.9 119.03 48.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 122.088 0.946 . . . . 70.32 109.247 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.713 ' HB3' ' HG3' ' B' ' 109' ' ' GLN . 36.0 tt0 -95.02 97.27 9.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.4 -1.273 . . . . 74.23 108.092 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.474 ' HH2' HD11 ' A' ' 68' ' ' ILE . 5.4 t-105 -118.12 98.16 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 106.494 -1.669 . . . . 73.11 106.494 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -164.55 156.28 15.85 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.861 1.06 . . . . 74.33 113.861 -172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 27.4 m -76.79 130.01 37.07 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.452 1.101 . . . . 74.23 110.877 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mm -113.05 111.93 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.667 -0.864 . . . . 75.11 108.667 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.7 m -83.76 119.5 24.89 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.676 -0.861 . . . . 74.12 108.676 174.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 HG23 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -144.23 153.45 42.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.521 0.329 . . . . 74.43 111.204 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 2.0 tm-20 -84.09 143.23 29.85 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.006 0.922 . . . . 73.41 108.699 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -150.99 155.31 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.199 0.6 . . . . 61.34 109.628 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.69 147.18 35.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.474 0.709 . . . . 74.15 110.184 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.63 -34.21 64.17 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.691 2.261 . . . . 63.23 112.223 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 m -77.3 -12.39 59.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.724 0.81 . . . . 73.52 112.126 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.99 151.38 45.64 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.759 -0.46 . . . . 72.11 109.759 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -82.56 160.25 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.598 -0.728 . . . . 74.1 110.465 166.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.531 HD13 HD22 ' A' ' 56' ' ' LEU . 23.5 mm -66.28 -26.53 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.638 0.775 . . . . 72.15 110.098 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -21.16 64.85 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.537 0.735 . . . . 72.13 111.299 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 24.9 m120 -61.96 -60.82 3.06 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.874 0.734 . . . . 72.44 109.223 170.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -56.84 -36.0 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 123.813 0.845 . . . . 72.21 111.256 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 38' ' ' PRO . 36.2 ttpt -57.14 -53.41 58.39 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.742 1.217 . . . . 74.35 111.215 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -24.53 63.3 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.432 -0.803 . . . . 41.23 112.017 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 4.0 mptp? -70.02 -54.39 13.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.858 0.863 . . . . 73.01 109.648 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 2.7 pp -65.63 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 117.902 0.319 . . . . 63.45 110.872 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -67.65 -35.28 78.6 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 115.815 -0.629 . . . . 61.43 110.615 174.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.22 -44.23 72.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.274 0.63 . . . . 71.24 110.472 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 73.1 mmtt -81.08 -71.36 0.47 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.995 -1.002 . . . . 52.53 111.138 -172.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.3 -25.17 36.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.505 0.722 . . . . 75.53 111.765 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.03 23.08 56.33 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 121.77 -0.252 . . . . 63.33 113.482 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 69' ' ' LEU . 43.1 mt -73.36 125.13 90.98 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.562 0.745 . . . . 64.05 109.664 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.19 135.25 53.38 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 123.244 2.63 . . . . 63.53 112.329 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 6.2 Cg_endo -49.08 -44.33 33.33 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 124.367 3.378 . . . . 72.5 113.901 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.74 -26.91 62.66 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.251 -0.886 . . . . 65.03 112.331 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -102.65 26.37 8.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.215 0.606 . . . . 74.22 112.457 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.629 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 4.2 pt20 -131.54 163.47 27.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.593 0.711 . . . . 75.02 111.724 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 37.2 mtp85 -140.82 100.33 3.81 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 107.147 -1.427 . . . . 62.03 107.147 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 43' ' ' LEU . 2.6 mp -85.05 134.66 34.2 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.662 -0.866 . . . . 74.33 108.662 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' HG2' ' A' ' 49' ' ' GLN . 49.4 mt -134.94 138.8 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 121.065 0.459 . . . . 74.32 109.79 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.79 101.73 5.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.504 -0.924 . . . . 75.11 108.504 -171.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.59 40.67 31.73 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.1 0.875 . . . . 60.32 110.855 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 -2.27 78.76 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.067 -0.969 . . . . 73.44 115.499 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -97.96 120.03 37.63 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.239 1.019 . . . . 64.32 110.478 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.6 mt-30 -81.65 115.59 20.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 71.14 108.111 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 45' ' ' PHE . 34.9 mt -87.01 126.61 34.85 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 123.967 0.792 . . . . 61.5 111.781 -164.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -76.48 127.19 32.35 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 107.664 -1.235 . . . . 63.42 107.664 164.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 12.1 p-10 -61.95 -28.27 69.42 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.139 0.576 . . . . 73.34 111.37 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.91 -1.3 78.39 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.83 -0.623 . . . . 71.42 114.577 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.74 177.67 6.02 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.694 0.747 . . . . 75.42 109.876 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 27.4 m -106.69 157.34 17.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.592 0.757 . . . . 75.22 109.639 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 61' ' ' ILE . 2.6 mm? -59.6 -53.01 63.05 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 109.035 -0.728 . . . . 72.34 109.035 173.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 t -61.6 -22.24 65.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.628 0.771 . . . . 70.1 112.402 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.93 -33.48 71.95 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.599 0.759 . . . . 72.32 111.118 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.18 -2.92 35.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.674 -0.693 . . . . 71.35 111.218 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 60.3 65.58 1.06 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.964 0.906 . . . . 64.15 110.82 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.4 mm -77.64 107.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 114.988 -1.006 . . . . 71.13 109.577 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HG3' ' OG ' ' A' ' 65' ' ' SER . 10.4 pt20 -85.97 -176.14 5.86 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.187 -0.915 . . . . 73.13 109.19 172.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.5 ttpp -92.5 155.24 17.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.159 0.584 . . . . 74.3 110.958 -177.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 56.13 41.47 29.45 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.744 1.217 . . . . 73.5 111.282 -173.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 62' ' ' GLN . 43.4 m -99.72 129.72 45.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.178 0.591 . . . . 63.41 111.279 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.16 102.3 13.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.501 0.667 . . . . 41.14 110.861 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' B' ' 105' ' ' VAL . 3.6 tt -87.94 126.53 35.11 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 106.641 -1.614 . . . . 72.5 106.641 171.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.8 tp -97.43 126.93 50.17 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 108.786 -0.82 . . . . 73.4 108.786 172.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD21 HD12 ' A' ' 36' ' ' ILE . 57.1 tp -98.5 105.17 17.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.439 -0.948 . . . . 71.22 108.439 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' C' ' 760' ' ' ALA . 74.6 mt -96.71 162.94 13.22 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.513 -0.921 . . . . 63.25 108.513 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 41' ' ' GLN . 1.7 pt? -116.38 174.81 5.86 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 108.861 -0.792 . . . . 63.41 108.861 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.03 114.31 1.4 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 122.921 0.488 . . . . 64.53 111.849 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' C' ' 763' ' ' THR . 4.0 pp -75.4 -19.41 59.53 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.0 -1.0 . . . . 63.41 110.912 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.01 1.324 . . . . 75.51 108.392 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.67 -0.572 . . . . 62.22 111.67 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -144.13 149.67 36.89 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.81 0.844 . . . . 63.34 109.532 179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.622 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 10.7 mp0 -108.93 125.0 51.56 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.418 -1.327 . . . . 71.13 107.418 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 39.6 pt -118.23 166.67 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.347 0.659 . . . . 73.53 110.887 -173.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.435 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 12.4 m-85 -113.42 101.53 9.46 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.756 0.822 . . . . 74.51 108.968 -176.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.498 HG23 HD11 ' A' ' 15' ' ' LEU . 57.3 t -96.7 105.19 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.908 -0.775 . . . . 70.22 108.908 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 68' ' ' ILE . 3.0 t70 -78.44 103.06 8.14 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.119 -1.067 . . . . 72.51 108.119 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.7 t -91.73 145.23 24.75 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 114.631 -1.168 . . . . 62.5 112.164 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.419 HG22 ' CE3' ' A' ' 10' ' ' TRP . 36.4 t -120.05 120.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 125.374 1.671 . . . . 74.25 109.508 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.713 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 5.1 pp0? -142.9 150.19 39.46 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.899 -0.778 . . . . 75.32 108.899 160.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -126.43 135.19 51.08 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 107.301 -1.37 . . . . 63.24 107.301 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.81 125.29 19.13 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.732 0.645 . . . . 74.0 109.414 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 4' ' ' PHE . 57.9 m -94.46 116.36 28.71 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.261 0.625 . . . . 74.14 109.406 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 5' ' ' VAL . 14.0 mt -101.72 163.09 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 61.22 108.565 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 18.3 p -122.82 132.23 54.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.067 0.947 . . . . 72.42 109.661 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.436 HD12 ' HD3' ' B' ' 129' ' ' LYS . 2.5 pt? -133.34 164.99 25.88 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.591 -0.892 . . . . 74.51 108.591 171.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 2' ' ' GLN . 33.2 mt-10 -114.9 151.47 33.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.33 1.052 . . . . 72.24 109.032 169.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.6 p -156.46 171.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.43 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -109.91 151.25 42.3 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 123.39 0.676 . . . . 63.11 110.152 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.08 -35.83 32.13 Favored 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 122.549 2.166 . . . . 71.13 112.728 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.8 -8.61 59.71 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.499 0.32 . . . . 75.13 111.141 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.33 158.94 34.86 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.193 0.597 . . . . 61.41 110.25 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.4 p -91.34 162.72 14.48 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.356 0.662 . . . . 75.31 111.073 172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.561 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 34.0 mm -70.71 -20.38 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 CA-C-N 114.874 -1.057 . . . . 53.0 109.958 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 13.5 pt-20 -62.17 -30.61 71.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.927 0.491 . . . . 71.41 110.72 176.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -69.8 -41.05 75.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.303 0.641 . . . . 60.34 110.121 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.74 -51.87 67.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 123.67 0.788 . . . . 64.12 109.911 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 60.3 pttt -64.13 -39.09 93.28 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.894 -0.593 . . . . 72.33 110.698 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.48 93.91 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 116.078 -0.51 . . . . 53.31 111.383 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' B' ' 115' ' ' LEU . 16.1 ptmt -78.27 -34.88 48.69 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.361 0.413 . . . . 72.32 111.754 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.549 ' HB ' HD12 ' B' ' 136' ' ' ILE . 23.3 pt -72.5 -30.16 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 110.072 -0.344 . . . . 74.21 110.072 174.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.55 -37.41 77.04 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.301 0.64 . . . . 64.01 110.903 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.73 -43.77 71.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.056 0.943 . . . . 71.31 111.477 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 -58.95 2.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.194 -0.912 . . . . 65.22 111.222 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.25 -15.17 26.14 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.522 0.329 . . . . 72.33 111.41 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.52 53.49 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.348 0.405 . . . . 64.31 112.557 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.549 HD12 ' HB ' ' B' ' 130' ' ' ILE . 97.3 mt -86.37 110.06 28.41 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.115 0.966 . . . . 64.31 109.532 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.97 118.9 4.54 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 C-N-CA 122.472 2.114 . . . . 72.43 109.81 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.582 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.7 Cg_endo -58.15 -36.3 97.99 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 123.631 2.887 . . . . 73.23 114.071 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.55 -29.07 62.21 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.414 -0.812 . . . . 73.31 110.022 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.74 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 7.7 tm0? -87.29 -22.7 24.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.361 0.665 . . . . 75.52 110.688 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -137.64 103.17 4.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.008 0.923 . . . . 70.13 108.985 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.515 HH11 ' N ' ' B' ' 173' ' ' LEU . 1.7 mpt_? -77.53 129.74 36.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 65.24 110.063 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' B' ' 167' ' ' LEU . 13.0 mt -85.61 125.67 33.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.889 -0.782 . . . . 75.34 108.889 -178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.91 144.0 51.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.668 0.787 . . . . 73.11 109.984 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' B' ' 150' ' ' LEU . 0.1 OUTLIER -127.05 102.86 7.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.967 -1.123 . . . . 74.33 107.967 177.801 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 49.29 36.3 9.2 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.785 1.234 . . . . 72.32 113.315 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.71 16.06 43.74 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.996 -0.547 . . . . 62.34 114.318 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -121.23 119.12 31.37 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.918 -0.771 . . . . 75.34 108.918 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.38 136.59 55.01 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.308 -0.627 . . . . 74.13 109.308 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' B' ' 145' ' ' PHE . 66.7 mt -94.48 104.31 16.27 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.061 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.1 130.61 43.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.092 -0.958 . . . . 61.34 108.602 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.561 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.7 p-10 -67.38 -25.82 66.15 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.637 0.256 . . . . 74.13 111.223 -173.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -84.28 6.19 77.23 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.773 -0.649 . . . . 71.21 113.871 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.16 167.54 11.14 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.06 -1.089 . . . . 75.24 108.06 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 15.5 p -104.31 166.84 10.14 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.039 0.447 . . . . 74.31 110.99 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 161' ' ' ILE . 3.2 mm? -69.85 -41.84 74.36 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.298 -0.865 . . . . 74.43 109.234 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.3 t -68.96 -24.33 64.24 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.852 -0.613 . . . . 62.04 111.437 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.21 -31.05 70.82 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.708 0.63 . . . . 74.4 110.54 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 161' ' ' ILE . 95.2 m-85 -102.94 4.22 37.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.52 0.728 . . . . 74.23 111.203 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.8 t30 60.42 28.24 17.87 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.054 0.941 . . . . 73.31 111.294 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 156' ' ' LEU . 99.4 mt -58.64 128.71 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.637 1.175 . . . . 73.02 110.997 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.02 174.5 9.95 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 122.117 0.961 . . . . 63.23 111.422 -172.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -59.53 141.26 55.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 114.358 -1.292 . . . . 75.11 110.177 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 55.45 23.39 5.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.121 2.169 . . . . 74.24 113.401 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 66.0 m -67.54 142.01 56.68 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 120.602 -0.439 . . . . 51.12 110.12 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.44 106.14 16.83 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.57 0.7 . . . . 75.33 110.74 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' B' ' 143' ' ' LEU . 4.8 tt -97.3 120.1 37.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.754 1.622 . . . . 74.53 107.261 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 17.9 pt -101.22 143.15 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.059 0.845 . . . . 64.01 110.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 7' ' ' THR . 11.2 mp -101.1 122.3 43.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.02 -0.991 . . . . 72.3 109.134 175.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.61 158.73 15.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.232 -1.025 . . . . 71.44 108.232 170.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.89 166.01 20.41 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 110.204 -0.295 . . . . 75.44 110.204 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.74 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 4.5 t -47.6 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.346 1.058 . . . . 35.12 113.509 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.515 ' N ' HH11 ' B' ' 142' ' ' ARG . 0.4 OUTLIER -170.25 111.25 0.41 Allowed 'General case' 0 C--N 1.348 0.504 0 N-CA-C 106.868 -1.53 . . . . 72.11 106.868 172.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.252 1.233 0 N-CA-C 108.103 -1.073 . . . . 72.31 108.103 176.029 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.768 -0.533 . . . . 44.32 111.768 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 53.2 p -112.38 5.58 18.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.923 0.889 . . . . 75.4 110.087 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.36 140.66 58.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.1 0.96 . . . . 74.41 111.243 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 41.0 m -136.1 -33.66 0.82 Allowed 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.062 0.945 . . . . 64.35 110.456 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 8.4 t0 68.47 125.83 0.03 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.505 1.522 . . . . 61.51 111.266 -177.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 58.1 m -139.8 13.76 2.49 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.742 0.817 . . . . 64.13 110.676 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -78.65 147.82 31.45 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.296 -0.411 . . . . 71.04 112.579 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -88.04 145.68 25.85 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 108.189 -1.041 . . . . 71.11 108.189 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 67.0 26.13 9.12 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.817 0.847 . . . . 73.01 110.623 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 48.1 t -64.0 -16.05 60.73 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.257 1.423 . . . . 54.35 112.668 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 743' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' C' ' 747' ' ' LYS . 28.8 tt0 -55.93 -40.26 72.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.386 0.674 . . . . 70.45 110.539 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.93 72.69 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.487 0.715 . . . . 60.5 111.3 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 7.7 m-20 -62.75 -52.44 63.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.3 1.0 . . . . 71.11 111.252 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 4.9 pp0? -59.28 -28.56 66.86 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.967 0.792 . . . . 73.23 111.923 -169.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' C' ' 743' ' ' GLN . 93.3 mttt -59.99 -61.59 2.5 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.0 0.813 . . . . 74.44 110.077 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.91 -41.71 96.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.692 1.245 . . . . 74.33 111.274 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 749' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 28.3 mm-40 -63.06 -41.25 99.41 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.442 0.639 . . . . 53.22 110.471 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 750' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' C' ' 746' ' ' GLN . 2.6 tp10 -66.32 -43.77 85.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 114.392 -1.276 . . . . 71.12 110.568 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 91.0 mt -67.83 -26.67 66.17 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 124.272 0.982 . . . . 45.12 110.803 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -78.42 -34.42 47.96 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.604 -0.887 . . . . 74.25 108.604 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.28 -37.31 74.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.636 0.774 . . . . 72.25 109.529 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.464 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 14.0 m-85 -66.27 -37.92 86.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.3 -0.864 . . . . 65.34 109.746 173.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.52 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.8 t-105 -66.76 -37.78 85.29 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.479 -1.237 . . . . 75.45 109.828 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 72.5 m -62.82 -36.49 83.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.637 0.775 . . . . 63.52 110.571 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.464 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 21.5 m-85 -56.42 -61.79 2.17 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 123.375 0.422 . . . . 73.44 110.192 169.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.32 -31.1 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 O-C-N 124.526 1.141 . . . . 72.54 111.748 -171.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.401 ' HA ' HD11 ' C' ' 817' ' ' LEU . 47.3 mt-30 -66.43 -61.18 2.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.421 0.689 . . . . 64.41 109.796 175.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -71.4 -18.99 62.32 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.408 -1.269 . . . . 64.35 112.481 -170.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.435 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.3 ppp? -85.79 -57.45 3.04 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 108.418 -0.956 . . . . 64.44 108.418 174.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' C' ' 816' ' ' ARG . 29.5 mt -69.47 -16.14 63.41 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 118.869 0.759 . . . . 64.31 112.998 -174.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.554 HG21 ' HA ' ' A' ' 73' ' ' LEU . 8.9 t -65.81 -22.57 66.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.135 0.574 . . . . 70.3 111.038 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.466 ' HB2' HD11 ' A' ' 71' ' ' LEU . 24.9 t-20 -113.72 -47.72 2.96 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.635 1.174 . . . . 74.41 109.379 174.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' C' ' 761' ' ' MET . 17.1 mt -81.04 59.71 3.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.179 1.392 . . . . 72.3 109.47 -178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.403 ' O ' ' HD2' ' C' ' 816' ' ' ARG . 11.4 pt-20 -80.34 44.01 0.67 Allowed 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.91 1.284 . . . . 75.13 112.938 -171.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 35.5 m 178.6 86.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.44 1.496 . . . . 73.1 109.586 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' C' ' 772' ' ' ARG . 3.2 pp -164.99 154.65 13.16 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.722 0.773 . . . . 61.1 112.478 172.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 24.8 m -66.43 151.3 47.45 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.479 -1.237 . . . . 53.34 111.12 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.573 HD11 HD12 ' C' ' 795' ' ' LEU . 25.4 tp -47.39 -32.12 4.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.838 1.255 . . . . 70.34 112.239 168.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.56 -38.39 74.7 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.336 1.055 . . . . 65.35 112.362 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.515 ' HB2' HD13 ' C' ' 768' ' ' LEU . 0.0 OUTLIER -61.39 -58.05 9.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.966 0.506 . . . . 72.33 110.828 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.2 pp -68.43 -26.92 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.774 -0.648 . . . . 65.43 110.402 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.642 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 73.3 t80 -63.51 -48.01 79.35 Favored 'General case' 0 C--N 1.366 1.302 0 N-CA-C 109.045 -0.724 . . . . 75.01 109.045 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -64.0 -37.17 86.44 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 123.802 0.689 . . . . 72.11 111.569 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 86.9 mtp -60.41 -61.6 2.48 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.607 0.567 . . . . 72.33 110.002 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.77 -36.54 67.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.657 0.783 . . . . 71.33 111.74 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.438 ' O ' HG12 ' C' ' 781' ' ' VAL . 8.6 tpt180 -68.54 -46.86 68.4 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.154 0.982 . . . . 71.24 110.501 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.01 -57.53 10.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.141 0.576 . . . . 74.44 109.926 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -75.03 -16.43 60.6 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.63 0.604 . . . . 71.54 112.63 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 3.0 p -82.09 -39.72 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 117.838 0.29 . . . . 64.22 110.338 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.67 -30.79 9.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 116.748 -0.206 . . . . 61.24 111.485 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.8 p -73.22 -19.89 60.98 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.192 0.442 . . . . 61.34 112.192 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -125.12 -173.77 13.78 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 115.58 -0.736 . . . . 72.15 112.018 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.01 6.1 5.91 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.893 2.395 . . . . 64.53 113.113 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.01 100.05 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.516 1.526 . . . . 64.34 112.042 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 6.1 mp 52.9 20.77 1.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.318 1.047 . . . . 70.52 112.332 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.95 -79.32 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.318 1.047 . . . . 63.13 110.095 -167.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -153.78 112.93 3.74 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.493 1.117 . . . . 63.22 108.112 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 14.5 pt -73.03 163.35 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.237 0.541 . . . . 73.41 110.521 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -126.26 172.82 9.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.105 -0.952 . . . . 73.23 109.747 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.03 -40.03 87.93 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 118.416 -0.802 . . . . 72.12 112.587 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.04 -25.0 59.62 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.777 0.717 . . . . 73.11 111.692 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.82 -46.43 68.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.678 0.751 . . . . 74.41 109.729 171.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.642 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -69.05 -43.12 75.31 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.304 -1.317 . . . . 74.34 109.787 -176.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -65.0 -41.98 94.9 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.319 -1.31 . . . . 50.14 110.13 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.2 -36.4 92.33 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 124.527 1.142 . . . . 70.3 113.27 172.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.52 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 25.4 t80 -68.8 -46.34 68.93 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.11 0.564 . . . . 73.43 110.657 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.475 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.1 mm? -66.72 -36.09 81.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.425 0.69 . . . . 74.04 111.053 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 124.016 0.823 . . . . 73.1 109.395 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -56.63 -58.05 9.74 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 124.491 1.12 . . . . 65.44 110.195 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.44 -30.17 70.41 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.734 1.013 . . . . 74.11 113.734 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 64.9 t -72.98 -46.32 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 109.702 -0.481 . . . . 63.24 109.702 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -78.22 -8.97 58.98 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.81 0.444 . . . . 73.54 112.117 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.94 -0.97 57.68 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.1 1.36 . . . . 71.23 110.346 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.51 21.29 12.42 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.412 1.485 . . . . 74.22 111.54 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -101.56 -24.25 14.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.416 1.086 . . . . 63.34 111.822 -168.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.51 143.21 45.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.786 0.834 . . . . 71.01 108.904 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.24 121.98 57.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 108.832 -0.803 . . . . 75.54 108.832 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.42 108.57 21.08 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.465 -1.309 . . . . 72.13 107.465 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.683 ' HB3' HG13 ' C' ' 814' ' ' VAL . 32.4 t -82.19 -152.47 0.1 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 108.896 -0.779 . . . . 71.14 108.896 171.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.74 74.62 1.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 118.925 0.784 . . . . 73.41 111.757 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 68.46 30.28 73.19 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.772 -0.531 . . . . 63.43 111.772 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.683 HG13 ' HB3' ' C' ' 811' ' ' SER . 3.6 p -145.78 142.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.009 0.924 . . . . 72.3 108.979 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -100.83 151.15 22.06 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.248 0.547 . . . . 71.11 111.818 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.644 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.3 OUTLIER -162.83 158.42 22.66 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.319 -1.31 . . . . 72.42 109.756 173.363 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.6 mt -91.97 145.05 30.2 Favored Pre-proline 0 N--CA 1.481 1.087 0 O-C-N 122.256 -0.277 . . . . 62.22 111.642 174.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 157.32 43.96 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.844 2.363 . . . . 70.11 110.688 166.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.22 -22.33 41.91 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 109.723 -0.473 . . . . 45.24 109.723 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.48 139.7 14.48 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.529 1.132 . . . . 72.13 109.272 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 64.2 m -83.93 -25.87 29.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.271 0.628 . . . . 73.24 110.325 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.249 1.041 0 C-N-CA 125.044 1.338 . . . . 62.24 108.415 173.575 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.659 -0.576 . . . . 73.01 111.659 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 146.73 48.01 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.187 -0.671 . . . . 73.24 109.187 -174.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.608 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 1.9 mp0 -87.81 164.01 16.15 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.818 -0.628 . . . . 73.34 111.776 -168.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.83 150.34 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 107.933 -1.136 . . . . 71.14 107.933 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -110.35 111.37 22.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.113 -1.069 . . . . 62.14 108.113 171.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.64 HG22 HD23 ' B' ' 167' ' ' LEU . 85.2 t -89.59 97.74 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 108.198 -1.038 . . . . 61.34 108.198 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -81.14 99.2 8.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.81 0.844 . . . . 64.24 109.036 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 111' ' ' LYS . 9.3 t -91.39 118.61 30.68 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.653 -0.703 . . . . 41.11 109.236 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 m -110.04 144.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 115.561 -0.745 . . . . 64.22 109.982 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 29.9 mm-40 -122.85 88.32 2.91 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.31 0.644 . . . . 65.52 110.856 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HE3' HG22 ' B' ' 108' ' ' VAL . 51.4 t-105 -93.3 110.43 21.96 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.589 -1.263 . . . . 63.13 107.589 168.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -156.02 139.35 15.72 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.615 0.572 . . . . 65.33 110.385 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 14.8 m -81.46 122.45 27.53 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.531 0.732 . . . . 73.13 110.238 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -94.23 113.66 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 109.089 -0.708 . . . . 72.5 109.089 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -84.05 112.83 20.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.242 -0.651 . . . . 73.1 109.242 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.56 167.75 19.46 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 109.043 -0.725 . . . . 64.24 109.043 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -111.49 142.85 43.23 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.348 0.594 . . . . 72.33 109.781 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.3 177.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.525 1.13 . . . . 63.34 108.897 169.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.25 156.31 76.86 Favored Pre-proline 0 N--CA 1.473 0.685 0 N-CA-C 108.046 -1.094 . . . . 71.13 108.046 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.97 -30.46 91.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 121.909 1.739 . . . . 74.14 112.398 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -72.78 -21.5 60.98 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.974 0.796 . . . . 52.22 111.957 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.38 153.87 41.59 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.789 0.436 . . . . 60.1 110.73 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.6 p -92.92 160.85 14.72 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.354 0.597 . . . . 72.1 110.47 169.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 17.8 mm -70.34 -25.24 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 114.528 -1.214 . . . . 74.25 110.195 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.82 -23.59 66.34 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.08 0.952 . . . . 72.33 111.473 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 14.4 m120 -60.23 -59.01 6.09 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.94 0.775 . . . . 54.51 109.33 171.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 30' ' ' ILE . 60.6 t -57.06 -48.04 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 73.3 109.801 -178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -52.14 -50.4 61.82 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.272 1.429 . . . . 74.35 110.999 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.11 -28.08 61.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.686 0.394 . . . . 61.12 111.824 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 9.7 mmpt? -70.62 -48.47 54.91 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.474 0.31 . . . . 73.12 110.267 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 36' ' ' ILE . 10.2 pt -70.46 -32.67 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.533 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.98 -35.87 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.804 0.442 . . . . 62.45 111.121 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.12 -51.55 24.41 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.604 0.762 . . . . 64.12 110.51 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -82.67 -56.94 3.55 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.892 -1.049 . . . . 75.11 111.237 -171.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 30' ' ' ILE . 1.8 mp0 -75.55 -27.89 58.82 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.689 0.396 . . . . 72.31 110.895 -177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.06 58.15 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 123.706 0.629 . . . . 62.12 112.027 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.548 HD11 ' HB ' ' A' ' 30' ' ' ILE . 21.9 pt -89.58 114.83 62.05 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.023 0.529 . . . . 71.11 110.392 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -63.82 134.61 44.38 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.586 2.19 . . . . 75.43 111.026 175.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.65 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 2.3 Cg_endo -47.05 -31.88 12.29 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 124.178 3.252 . . . . 71.33 113.128 166.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.13 -46.66 68.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 114.294 -1.321 . . . . 73.11 110.998 172.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -99.1 -3.19 35.21 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.844 1.257 . . . . 64.15 112.07 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.65 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 6.7 tt0 -96.06 108.88 21.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.266 1.427 . . . . 64.42 110.106 -175.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 15.7 mtp180 -108.86 74.1 0.89 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.09 -1.448 . . . . 74.31 107.09 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.95 115.93 22.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.262 0.625 . . . . 71.52 109.47 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.734 HG12 ' HG3' ' A' ' 49' ' ' GLN . 42.8 mt -119.94 138.99 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 121.269 0.556 . . . . 75.21 109.59 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' HB3' HD21 ' A' ' 50' ' ' LEU . 31.4 t80 -131.75 119.0 20.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 64.24 108.819 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.33 22.63 11.01 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.944 0.897 . . . . 63.35 112.745 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 92.34 12.95 57.98 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 116.158 -0.473 . . . . 53.22 113.752 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.09 125.74 27.03 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.248 0.619 . . . . 53.25 109.797 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.734 ' HG3' HG12 ' A' ' 44' ' ' ILE . 22.2 mp0 -74.66 130.37 39.4 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.422 0.689 . . . . 70.44 109.172 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.7 mt -88.29 106.45 18.23 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.612 -0.722 . . . . 61.33 109.736 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.524 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 40.1 mt-10 -71.37 124.5 24.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.849 -1.167 . . . . 74.12 107.849 171.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 6.0 p-10 -63.46 -22.19 66.75 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.83 0.706 . . . . 70.14 112.422 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -2.72 63.86 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 116.03 -0.532 . . . . 73.44 114.274 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HD3' ' HB2' ' A' ' 51' ' ' GLU . 2.9 mpt_? -94.72 178.0 5.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.537 0.669 . . . . 70.31 109.544 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 m -112.58 158.0 20.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.322 . . . . 75.32 108.392 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.07 -37.01 85.51 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 65.32 109.46 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.4 -31.58 72.77 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.758 0.823 . . . . 51.33 112.259 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.79 -28.34 65.87 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.026 0.53 . . . . 64.41 111.232 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.39 -2.38 25.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.987 0.515 . . . . 74.24 111.599 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.58 43.49 22.48 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.151 0.907 . . . . 70.43 110.229 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.24 116.32 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.944 -1.025 . . . . 73.13 111.622 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.04 -178.64 7.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.844 -1.071 . . . . 74.51 110.707 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 37.8 ttmt -79.83 138.8 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.216 -0.661 . . . . 74.24 109.216 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 38.2 mt-10 62.89 30.49 16.54 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.016 1.326 . . . . 73.14 112.153 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.569 ' HB2' HG22 ' B' ' 103' ' ' ILE . 74.9 m -56.84 135.04 55.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.555 0.742 . . . . 61.54 110.968 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.41 113.87 27.36 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.743 0.701 . . . . 35.12 111.107 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -118.8 125.6 49.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.922 -1.14 . . . . 62.15 107.922 -176.443 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 tt -97.81 128.5 49.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.503 0.668 . . . . 75.03 109.554 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.614 HD23 ' H ' ' B' ' 108' ' ' VAL . 34.3 tp -87.04 115.27 24.31 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.097 -0.956 . . . . 75.12 108.594 170.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 4.0 mp -100.73 126.09 47.24 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.691 -1.596 . . . . 65.2 106.691 170.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' B' ' 108' ' ' VAL . 4.1 mm? -81.32 170.89 15.46 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.472 -0.566 . . . . 61.54 109.472 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -38.43 96.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.562 0.745 . . . . 75.52 112.604 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 760' ' ' ALA . 3.3 tm? -67.82 -57.2 6.69 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.361 -1.718 . . . . 71.33 106.361 166.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.653 ' HB2' ' HA ' ' C' ' 822' ' ' SER . 17.7 tpp180 . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 113.172 -1.831 . . . . 74.13 107.703 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 113.209 0.044 . . . . 72.13 113.209 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.58 156.27 17.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.132 0.573 . . . . 73.31 110.147 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.476 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 5.5 mm100 -85.26 160.6 19.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.822 -0.436 . . . . 72.42 109.822 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.569 HG22 ' HB2' ' A' ' 65' ' ' SER . 30.4 pt -147.17 149.71 15.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.001 0 C-N-CA 123.85 0.86 . . . . 70.24 108.964 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 15.3 m-30 -112.33 102.67 10.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.343 1.057 . . . . 75.52 108.195 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.21 101.06 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 109.257 -0.646 . . . . 72.05 109.257 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.84 96.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.777 0.831 . . . . 74.12 109.187 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 5.9 t -92.09 144.36 25.52 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 123.573 0.749 . . . . 72.41 109.832 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.614 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -120.17 140.98 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.177 -0.675 . . . . 71.3 109.177 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 15.7 mm100 -132.34 159.32 39.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.45 0.7 . . . . 73.24 110.79 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -136.54 134.05 37.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.42 -1.326 . . . . 74.42 107.42 171.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' THR . 75.4 mmtt -140.24 149.58 43.05 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.406 -1.331 . . . . 73.21 107.406 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 63.6 m -119.64 132.9 55.8 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.572 -0.529 . . . . 71.02 109.572 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.1 mm -110.59 125.0 67.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 107.134 -1.432 . . . . 64.14 107.134 176.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.3 m -103.47 127.23 50.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.833 0.742 . . . . 61.51 109.67 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.99 170.0 16.29 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.101 -1.074 . . . . 73.35 108.101 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.0 tt0 -124.01 145.28 49.31 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.201 -0.666 . . . . 75.41 109.201 170.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 p -134.38 171.08 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 122.93 0.492 . . . . 72.11 110.244 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.02 151.56 44.97 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.805 0.842 . . . . 72.52 109.181 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.36 -29.99 45.22 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.251 1.967 . . . . 73.4 112.458 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.4 m -78.06 -14.09 59.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.991 0.916 . . . . 73.53 112.618 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.85 159.73 30.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.888 0.375 . . . . 65.43 109.99 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 160.89 14.61 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.878 0.871 . . . . 73.34 110.683 171.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' B' ' 150' ' ' LEU . 39.9 mm -65.63 -28.04 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 114.636 -1.166 . . . . 73.12 110.729 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.418 ' HA ' ' HE3' ' B' ' 127' ' ' LYS . 17.1 pt-20 -59.74 -31.91 70.07 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.325 0.65 . . . . 60.4 111.316 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.17 -46.66 86.09 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.1 0.96 . . . . 64.4 110.041 173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.86 -48.13 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.869 0.867 . . . . 64.21 110.695 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.457 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.1 OUTLIER -68.8 -34.92 76.34 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.768 -0.196 . . . . 74.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.38 89.27 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.62 0.368 . . . . 72.42 111.238 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' B' ' 133' ' ' LYS . 17.1 ptpt -73.35 -41.45 63.43 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-O 118.567 -0.73 . . . . 73.41 111.289 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.402 ' HB ' HD11 ' B' ' 136' ' ' ILE . 2.6 pp -63.18 -41.61 93.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 CA-C-N 119.156 0.889 . . . . 72.01 110.011 176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.11 -43.05 86.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.901 0.751 . . . . 64.23 111.045 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.37 -50.99 65.54 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.942 0.897 . . . . 54.25 111.354 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 73.1 mmtt -66.46 -62.8 1.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.41 -0.814 . . . . 74.32 111.258 -173.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 134' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' B' ' 136' ' ' ILE . 37.5 mt-10 -80.5 -46.83 15.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.582 0.23 . . . . 63.32 111.61 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.7 35.52 2.8 Favored Glycine 0 N--CA 1.476 1.328 0 N-CA-C 110.914 -0.874 . . . . 71.14 110.914 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.5 HG12 ' HB2' ' B' ' 134' ' ' GLU . 1.5 pt -105.93 100.29 27.23 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 125.488 1.515 . . . . 52.04 110.345 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.479 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 28.0 Cg_endo -64.54 117.6 4.65 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.552 2.168 . . . . 75.04 111.166 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.457 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 33.8 Cg_endo -61.8 -20.7 70.16 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.289 2.659 . . . . 74.1 112.79 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.25 -47.17 87.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.263 -1.335 . . . . 72.31 109.518 172.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.479 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -97.14 -3.29 41.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.882 1.273 . . . . 55.42 110.843 -177.434 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -128.42 101.52 6.24 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.139 -0.689 . . . . 74.2 109.139 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.709 ' HB3' HH11 ' B' ' 174' ' ' ARG . 0.8 OUTLIER -79.57 112.21 16.6 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.264 -0.643 . . . . 72.34 109.264 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' B' ' 167' ' ' LEU . 5.5 mp -75.82 139.7 41.89 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.577 -0.527 . . . . 74.34 109.577 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 144' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 148' ' ' LYS . 17.5 t70 -123.31 114.04 19.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.607 0.763 . . . . 72.4 108.954 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.586 ' HB2' HD21 ' B' ' 150' ' ' LEU . 6.0 t80 -109.19 97.92 7.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.619 -0.882 . . . . 71.33 108.619 -171.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 47.52 32.79 2.53 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.663 0.785 . . . . 63.21 112.361 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.411 ' HA2' HH12 ' C' ' 816' ' ' ARG . . . 94.56 17.59 38.47 Favored Glycine 0 C--N 1.351 1.362 0 N-CA-C 114.193 0.437 . . . . 50.01 114.193 -175.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 144' ' ' ASP . 41.3 mmtm -107.56 173.71 6.2 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.813 0.806 . . . . 74.02 109.861 172.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -133.82 127.53 32.84 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.582 -1.636 . . . . 71.23 106.582 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.5 mm? -88.41 137.78 32.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.637 0.775 . . . . 71.04 110.3 -167.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 5.6 mp0 -89.32 126.97 35.74 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.761 -1.199 . . . . 55.41 107.761 166.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -62.21 -35.83 80.07 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.064 0.459 . . . . 65.43 110.818 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.27 21.05 13.75 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.898 -0.592 . . . . 72.11 113.239 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 13.0 tpt180 -104.95 174.14 6.01 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.888 -1.153 . . . . 65.25 107.888 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 34.8 m -116.72 150.1 38.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.452 0.701 . . . . 74.54 110.181 -174.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.555 HD12 HG13 ' B' ' 161' ' ' ILE . 4.1 mm? -58.91 -42.54 89.88 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.601 0.76 . . . . 74.23 111.163 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -58.07 -35.21 71.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.408 0.683 . . . . 63.23 112.255 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.35 -29.51 67.72 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.339 0.656 . . . . 64.42 111.39 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -96.9 -4.88 39.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 119.095 -0.479 . . . . 74.2 111.184 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.97 58.11 5.66 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 122.202 1.001 . . . . 74.25 110.276 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.555 HG13 HD12 ' B' ' 156' ' ' LEU . 22.0 mm -66.44 114.66 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 114.002 -1.454 . . . . 70.45 111.114 -172.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -81.71 148.56 28.91 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 109.199 -0.667 . . . . 61.34 109.199 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -57.66 131.08 49.18 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.313 -0.625 . . . . 74.34 109.313 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 73.63 22.84 2.51 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.391 1.057 . . . . 73.33 111.504 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 75.5 m -51.12 127.26 18.69 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 111.669 0.248 . . . . 44.34 111.669 166.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.17 140.15 31.93 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.39 0.614 . . . . 65.21 110.174 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' B' ' 143' ' ' LEU . 23.0 tp -145.35 107.44 4.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.101 0.96 . . . . 72.53 108.81 -170.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.01 124.83 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.535 0.683 . . . . 63.01 110.715 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' A' ' 7' ' ' THR . 79.4 mt -72.64 107.18 4.99 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.381 -0.827 . . . . 75.2 110.598 172.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.3 mt -95.79 156.54 16.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.215 -1.031 . . . . 65.4 108.215 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.48 173.5 10.26 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.185 0.594 . . . . 73.51 109.903 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 14.5 t -44.64 159.99 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.349 1.059 . . . . 64.42 112.398 172.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' B' ' 174' ' ' ARG 0.313 0.6 OUTLIER 48.03 -79.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.956 1.302 . . . . 73.31 111.098 -156.54 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.709 HH11 ' HB3' ' B' ' 142' ' ' ARG . 16.2 tpt180 . . . . . 0 C--O 1.257 1.484 0 N-CA-C 108.678 -0.86 . . . . 63.21 108.678 173.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.828 -0.509 . . . . 50.3 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 45.7 m -84.92 93.93 8.65 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 123.245 0.618 . . . . 60.21 110.203 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.55 109.92 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.111 -1.441 . . . . 70.23 107.111 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 77.5 p 178.71 -42.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.656 0.782 . . . . 74.52 110.334 -172.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.8 99.59 0.12 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.305 1.042 . . . . 62.53 110.287 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 29.2 p -163.4 95.94 0.85 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.817 0.847 . . . . 73.41 109.625 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -76.02 -52.36 6.35 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.357 -0.697 . . . . 50.21 111.357 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 90.6 mmm -91.62 -176.44 4.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.007 0.923 . . . . 72.33 109.894 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 64.15 39.41 7.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.632 0.773 . . . . 74.44 111.903 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.6 p -61.43 -13.66 22.14 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 114.164 1.172 . . . . 33.32 114.164 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -111.82 -28.75 7.94 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.057 0.456 . . . . 73.25 110.666 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -87.51 -19.29 28.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.75 0.82 . . . . 63.21 112.504 -172.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.36 -51.53 67.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.437 0.695 . . . . 65.01 111.077 -170.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -53.63 -30.91 45.14 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.456 0.702 . . . . 74.22 112.555 -173.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.55 -62.92 1.51 Allowed 'General case' 0 C--N 1.345 0.375 0 O-C-N 124.235 0.959 . . . . 73.14 110.466 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.79 -28.12 65.47 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.263 -0.88 . . . . 74.04 111.517 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.49 -46.34 73.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.525 -0.546 . . . . 74.3 109.525 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -70.37 -37.23 74.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.204 -0.907 . . . . 64.21 110.604 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.8 -34.64 77.17 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.084 0.553 . . . . 63.11 111.719 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.87 -40.58 72.2 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.045 -1.095 . . . . 72.23 108.045 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.22 -45.96 91.0 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.243 0.964 . . . . 72.14 110.836 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.509 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 16.4 m-30 -57.74 -47.66 81.83 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.626 0.726 . . . . 61.43 109.814 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -66.95 -26.67 66.95 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.181 -1.372 . . . . 74.52 111.003 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.2 m -67.75 -40.78 84.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.113 -0.699 . . . . 74.24 109.113 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.509 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 35.0 m-85 -59.45 -57.71 11.78 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 120.655 0.264 . . . . 74.32 110.958 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.721 HD11 HD11 ' C' ' 777' ' ' LEU . 20.3 mt -66.19 -43.32 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.273 0.983 . . . . 70.43 110.634 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.75 -48.9 70.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.033 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.44 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -69.22 -32.24 71.36 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.616 0.598 . . . . 44.33 112.616 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 25.5 ptm -72.37 -44.17 62.94 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.652 -0.87 . . . . 74.1 108.652 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' C' ' 768' ' ' LEU . 39.1 mt -71.1 -10.62 60.07 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 71.24 112.812 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 17.5 m -77.23 -17.0 58.8 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.222 1.009 . . . . 71.22 111.693 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -119.82 -53.15 2.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.21 0.604 . . . . 74.14 110.623 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -99.09 83.37 2.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 107.664 -1.236 . . . . 72.22 107.664 172.256 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' C' ' 762' ' ' LEU . 38.7 mp0 -71.62 66.39 0.51 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 116.123 -0.49 . . . . 75.23 111.425 175.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 11.4 m 167.98 139.79 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.367 2.667 . . . . 62.23 108.398 167.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' C' ' 762' ' ' LEU . 0.8 OUTLIER -158.14 143.36 16.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.889 -1.051 . . . . 45.33 109.388 172.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 15.8 m -80.96 145.11 31.39 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.447 -1.316 . . . . 73.03 107.447 167.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.483 ' O ' HD12 ' C' ' 770' ' ' LEU . 5.1 tp -59.48 -28.58 67.14 Favored 'General case' 0 C--O 1.204 -1.337 0 O-C-N 124.017 0.823 . . . . 71.42 112.371 -170.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.79 -39.4 65.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 119.348 0.976 . . . . 74.13 111.698 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' C' ' 768' ' ' LEU . 69.8 mtt180 -66.61 -61.08 2.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.04 0.936 . . . . 72.13 110.13 -175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -34.24 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 113.841 -1.527 . . . . 72.44 110.834 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' C' ' 795' ' ' LEU . 9.7 t80 -66.95 -45.72 76.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.435 0.694 . . . . 74.34 111.252 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.776 0.43 . . . . 74.25 110.324 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 33.1 mtm -65.13 -55.88 16.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.65 -0.705 . . . . 74.5 110.626 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.721 HD11 HD11 ' C' ' 758' ' ' ILE . 4.9 mt -55.45 -35.71 65.75 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.041 0.536 . . . . 72.12 111.075 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -59.09 -55.96 28.38 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.283 1.033 . . . . 62.11 110.584 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -58.23 -46.64 85.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.931 0.77 . . . . 75.12 110.733 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -65.21 -39.15 92.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.098 0.559 . . . . 73.25 112.226 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.434 HG21 ' H ' ' C' ' 790' ' ' ILE . 4.9 p -75.81 -31.31 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.75 0.25 . . . . 63.31 111.329 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.24 -27.05 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 112.145 0.424 . . . . 74.33 112.145 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.3 p -66.27 -23.83 66.47 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 112.239 0.459 . . . . 72.12 112.239 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -127.41 172.72 18.71 Favored Glycine 0 N--CA 1.462 0.372 0 N-CA-C 110.767 -0.933 . . . . 65.4 110.767 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.31 -32.87 97.51 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.375 2.05 . . . . 71.04 111.34 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 37.04 -89.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.944 2.098 . . . . 33.13 114.839 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.83 24.81 2.83 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.985 0.914 . . . . 74.14 110.984 -171.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.74 33.44 20.16 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.194 0.998 . . . . 74.4 111.603 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 65.48 112.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.684 1.593 . . . . 65.14 111.356 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.8 pt -72.86 153.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 121.499 0.666 . . . . 74.12 110.151 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.92 176.28 5.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.961 -1.018 . . . . 74.03 109.464 -173.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.87 -53.0 61.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.558 0.743 . . . . 75.01 111.252 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.25 -25.07 66.71 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.882 0.31 . . . . 70.02 111.305 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.3 10.76 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 109.082 -0.71 . . . . 60.13 109.082 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' C' ' 774' ' ' TYR . 2.7 tt -65.76 -51.1 61.88 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.318 1.447 . . . . 64.32 110.497 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.32 -38.82 77.89 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.853 0.861 . . . . 74.35 110.555 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.48 80.82 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.796 0.685 . . . . 72.02 113.549 170.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.56 -45.97 90.51 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.722 0.809 . . . . 73.45 110.312 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 57.8 mt -67.55 -45.94 74.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.205 -1.361 . . . . 54.32 112.493 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -28.03 66.88 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.901 -0.407 . . . . 52.11 109.901 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.12 64.7 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 108.697 -0.853 . . . . 64.42 108.697 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -57.13 -37.01 71.39 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.452 0.47 . . . . 71.31 112.249 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 93.9 t -65.37 -43.35 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 121.047 0.451 . . . . 75.33 110.759 174.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -79.92 -8.08 59.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.002 0.921 . . . . 75.02 112.276 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -88.05 -5.56 58.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.713 1.205 . . . . 71.1 109.715 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.98 12.73 7.12 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.679 1.592 . . . . 64.4 111.561 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -78.93 -37.44 39.77 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.389 1.075 . . . . 64.02 110.32 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 45.4 tp -127.49 138.85 53.05 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 65.01 109.495 -167.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.03 135.23 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.086 0.954 . . . . 72.32 109.695 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -93.11 116.06 28.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.257 -1.016 . . . . 74.01 108.257 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 24.5 t -89.5 -139.71 0.13 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.963 -0.754 . . . . 75.03 108.963 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.81 71.87 2.01 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.678 0.672 . . . . 72.21 110.812 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.99 19.25 78.9 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.249 -0.887 . . . . 53.44 113.741 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.82 165.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.647 0.779 . . . . 70.53 109.942 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.83 140.62 37.41 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.241 -0.651 . . . . 63.54 109.241 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.588 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.1 OUTLIER -151.33 132.21 14.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.728 0.811 . . . . 73.3 109.469 178.45 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.91 135.14 70.99 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 109.258 -0.645 . . . . 53.32 109.258 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.01 -74.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 123.419 2.746 . . . . 75.44 111.794 170.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -172.3 85.77 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 C-N-CA 125.691 1.597 . . . . 54.13 108.486 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -76.1 -55.13 5.88 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.863 -0.791 . . . . 74.35 108.863 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 57.3 m 50.38 10.56 0.06 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.64 1.576 . . . . 71.41 114.267 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 822' ' ' SER . . . . . 0.653 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 51.6 p . . . . . 0 C--O 1.257 1.461 0 C-N-CA 125.009 1.324 . . . . 62.22 108.881 -168.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 120.059 -0.3 . . . . 74.3 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.477 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -105.46 145.59 30.66 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.098 0.559 . . . . 75.33 110.307 -174.608 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.4 OUTLIER -101.07 119.87 39.37 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.38 -0.6 . . . . 70.35 109.38 -174.655 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 pt -117.25 161.96 15.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-O 121.162 0.506 . . . . 62.1 110.229 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 11.8 m-85 -112.46 118.82 36.22 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.341 -0.985 . . . . 65.43 108.341 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 115' ' ' LEU . 52.9 t -96.37 91.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 106.95 -1.5 . . . . 73.4 106.95 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' B' ' 168' ' ' ILE . 4.8 m-20 -80.86 100.25 8.74 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.046 -1.434 . . . . 41.33 109.929 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.428 HG23 ' HB2' ' B' ' 111' ' ' LYS . 5.5 t -99.38 112.39 24.58 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.394 0.616 . . . . 62.53 109.631 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' B' ' 110' ' ' TRP . 8.4 p -94.35 127.53 46.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 108.99 -0.744 . . . . 71.22 108.99 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 85.7 mm-40 -108.59 81.19 1.43 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.473 -1.306 . . . . 70.03 107.473 176.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.739 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 7.3 t-105 -112.42 102.17 10.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 107.15 -1.426 . . . . 72.33 107.15 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' NZ ' ' HB2' ' B' ' 171' ' ' LEU . 34.5 mttt -163.57 157.82 19.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.853 0.861 . . . . 74.13 112.039 -173.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 ' HB3' ' B' ' 104' ' ' PHE . 59.6 m -75.53 120.3 20.76 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.76 -1.564 . . . . 44.24 111.336 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.15 113.8 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.796 -1.187 . . . . 73.12 107.796 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.46 HG22 ' CD1' ' B' ' 104' ' ' PHE . 24.5 p -93.63 101.61 13.77 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.883 0.373 . . . . 73.23 110.126 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -120.61 171.27 8.69 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 115.679 -0.691 . . . . 64.34 109.249 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 38.5 tt0 -124.78 127.46 47.24 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.17 -1.048 . . . . 74.44 108.17 171.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -122.94 167.94 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.492 0.717 . . . . 72.15 109.217 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.24 149.88 36.43 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 109.862 -0.421 . . . . 74.12 109.862 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.83 -36.07 92.11 Favored 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.601 2.201 . . . . 74.35 111.685 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -79.46 -11.36 59.91 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.433 1.083 . . . . 72.12 113.187 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 164.4 24.38 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.898 0.317 . . . . 72.44 110.353 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.8 p -90.43 161.5 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 63.33 111.207 173.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.558 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.9 mm -65.07 -25.22 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 115.091 -0.959 . . . . 71.22 110.781 175.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 7.7 pt-20 -62.44 -19.09 63.14 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 122.956 0.503 . . . . 72.1 111.455 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -70.96 -41.78 70.64 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.019 0.528 . . . . 73.42 110.853 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.56 -41.76 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.129 -0.693 . . . . 70.4 109.129 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -52.08 -51.19 59.27 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.791 0.837 . . . . 74.43 111.125 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.11 82.51 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 114.79 -1.095 . . . . 72.21 111.036 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -75.54 -34.93 60.79 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 123.598 0.561 . . . . 73.13 112.463 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 36' ' ' ILE . 21.6 pt -71.57 -33.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.0 0.818 . . . . 72.33 109.65 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.46 -35.19 77.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.35 1.06 . . . . 74.34 110.94 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.1 -44.08 49.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.236 1.014 . . . . 65.44 111.871 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.56 -52.09 6.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.259 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -106.26 -8.99 17.03 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 112.153 0.427 . . . . 72.42 112.153 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 10.58 84.61 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 119.82 -0.434 . . . . 71.12 114.137 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.486 HD12 ' HB ' ' A' ' 30' ' ' ILE . 83.0 mt -63.59 126.59 89.93 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 124.091 0.957 . . . . 74.05 111.5 -172.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.5 Cg_exo -66.82 122.96 10.41 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.814 2.343 . . . . 70.25 112.484 174.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 1.8 Cg_endo -48.22 -34.27 23.89 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 124.278 3.318 . . . . 70.4 113.434 165.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.3 -36.08 72.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.73 -1.123 . . . . 72.43 111.618 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 18.5 mt-30 -98.8 -0.29 42.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.016 0.527 . . . . 71.52 112.358 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.11 122.55 24.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.352 1.061 . . . . 72.21 110.78 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 26.8 mtp-105 -125.58 77.98 1.7 Allowed 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.694 -1.595 . . . . 72.13 106.694 167.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 117.8 20.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 60.05 109.843 -175.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG21 ' CE1' ' C' ' 757' ' ' TYR . 8.7 mm -110.04 139.36 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 108.877 -0.786 . . . . 74.05 108.877 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HD1' ' HG ' ' A' ' 67' ' ' LEU . 86.1 t80 -121.43 100.59 7.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.685 1.194 . . . . 52.54 108.933 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.45 26.88 13.15 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.592 0.757 . . . . 64.52 112.374 174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 96.55 11.91 52.42 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.807 -0.633 . . . . 72.32 114.411 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -126.55 127.06 44.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.359 0.664 . . . . 72.33 110.293 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.475 HE22 HD11 ' C' ' 753' ' ' LEU . 24.5 mp0 -78.95 132.87 36.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.717 0.807 . . . . 64.2 110.686 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 36.3 mt -94.78 117.33 29.96 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.729 0.812 . . . . 61.31 111.44 -175.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -81.85 128.73 34.33 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.9 -1.148 . . . . 73.15 107.9 165.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.558 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.0 p-10 -63.85 -24.09 67.61 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.357 0.663 . . . . 73.32 112.386 -172.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.75 76.16 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 115.652 -0.704 . . . . 51.13 114.028 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -81.19 171.99 14.2 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.226 0.61 . . . . 65.12 109.835 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.3 m -98.7 160.14 14.47 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.848 0.859 . . . . 65.31 109.498 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD13 HD12 ' A' ' 61' ' ' ILE . 3.9 mm? -61.05 -48.99 79.18 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.506 -0.553 . . . . 62.12 109.506 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 t -66.32 -21.94 66.27 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.226 -0.897 . . . . 74.43 112.142 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' THR . 11.7 t70 -54.89 -38.33 67.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.127 0.571 . . . . 70.11 110.178 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HB2' HG13 ' A' ' 61' ' ' ILE . 99.1 m-85 -99.04 -0.5 41.8 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 74.21 111.57 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.86 41.1 21.93 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.668 0.747 . . . . 74.13 110.124 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 59' ' ' TYR . 39.1 mt -64.16 111.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-N 115.604 -0.725 . . . . 73.33 109.643 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.44 -173.81 2.87 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.509 -0.768 . . . . 54.05 110.897 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.65 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.41 147.26 40.1 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.681 -0.69 . . . . 74.32 110.812 176.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.26 26.93 12.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.319 1.447 . . . . 75.32 112.937 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 103' ' ' ILE . 69.2 m -71.34 134.41 46.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.121 0.568 . . . . 64.55 110.31 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SD ' ' C' ' 779' ' ' MET . . . -98.22 113.38 25.29 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.286 0.565 . . . . 71.43 110.498 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' HD1' ' A' ' 45' ' ' PHE . 2.4 mp -104.12 153.12 21.3 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.916 1.287 . . . . 73.2 108.286 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HZ ' ' C' ' 780' ' ' PHE . 8.6 tt -124.94 134.97 65.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.146 -0.687 . . . . 73.04 109.146 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' H ' ' B' ' 108' ' ' VAL . 26.7 tp -96.22 118.28 32.46 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.465 -0.789 . . . . 74.31 109.352 172.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 6.9 mp -96.71 136.5 37.16 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.998 -1.482 . . . . 50.24 106.998 166.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.43 158.5 20.2 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 40' ' ' GLN . 82.9 m -35.75 110.78 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.782 0.833 . . . . 52.41 112.758 170.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HG ' ' HG3' ' A' ' 74' ' ' ARG . 21.7 tp -69.72 -53.5 18.17 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.267 -1.333 . . . . 74.44 110.936 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG3' ' HG ' ' A' ' 73' ' ' LEU . 44.0 mtm180 . . . . . 0 C--O 1.248 0.996 0 N-CA-C 109.37 -0.604 . . . . 72.42 109.37 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 112.876 -0.09 . . . . 74.24 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.5 145.52 43.25 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.678 0.791 . . . . 50.31 109.228 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 6.0 pm0 -87.05 155.51 20.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.187 0.595 . . . . 71.01 109.529 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 65' ' ' SER . 29.2 pt -149.13 152.45 12.03 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 CA-C-O 121.292 0.567 . . . . 64.51 109.845 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 12' ' ' THR . 10.0 m-85 -111.72 99.57 8.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.432 -1.258 . . . . 74.02 107.605 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 15' ' ' LEU . 48.2 t -100.46 104.43 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 N-CA-C 108.828 -0.804 . . . . 72.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 11.2 t70 -80.22 99.62 7.91 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.192 -1.04 . . . . 72.3 108.192 -175.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 63.1 p -100.06 141.18 33.23 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.874 0.87 . . . . 51.22 111.369 -171.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.739 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 4.0 p -119.96 132.06 70.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 CA-C-O 121.74 0.781 . . . . 75.44 111.926 170.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -135.62 97.53 3.69 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.261 -1.336 . . . . 75.41 107.467 166.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 8' ' ' VAL . 10.9 t-105 -73.68 130.34 39.8 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.369 -1.345 . . . . 73.44 107.369 171.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 7' ' ' THR . 7.0 mtpm? -132.0 155.47 47.95 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.576 1.151 . . . . 75.24 108.643 -174.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 30.4 m -135.29 123.2 22.58 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.952 0.501 . . . . 74.42 110.596 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 38.4 mt -95.69 152.36 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 107.605 -1.257 . . . . 62.41 107.605 168.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -135.6 113.54 11.16 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.401 -0.962 . . . . 64.25 108.401 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.671 HD13 ' HD2' ' B' ' 129' ' ' LYS . 0.9 OUTLIER -128.64 167.8 16.67 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.174 -0.921 . . . . 70.41 108.93 -177.136 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 31.3 tt0 -108.97 147.19 32.64 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.861 -1.163 . . . . 74.21 107.861 163.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.21 163.88 7.29 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 N-CA-C 109.399 -0.593 . . . . 74.41 109.399 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -108.12 152.71 41.93 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 109.202 -0.666 . . . . 73.42 109.202 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' PRO . . . . . 0.415 ' HB2' ' HB2' ' B' ' 157' ' ' SER . 43.8 Cg_endo -65.15 -34.65 45.2 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.372 2.048 . . . . 70.43 111.465 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -74.78 -15.88 60.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.912 0.885 . . . . 54.31 111.967 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.08 146.21 49.41 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 109.642 -0.503 . . . . 72.11 109.642 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -84.69 168.15 15.52 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 123.754 0.659 . . . . 73.33 110.697 167.33 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.44 HG12 ' O ' ' B' ' 154' ' ' ARG . 37.4 mm -73.25 -17.13 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.883 -0.598 . . . . 74.33 109.632 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.472 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -56.21 -34.73 66.57 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 123.331 0.652 . . . . 71.23 110.714 174.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.54 -42.89 98.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.309 0.644 . . . . 72.12 110.584 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.39 -45.45 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.513 -0.767 . . . . 74.41 110.568 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.607 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -67.52 -36.3 80.76 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.0 0.429 . . . . 74.54 111.026 177.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.482 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -65.84 -41.75 91.35 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.79 -0.641 . . . . 43.12 111.054 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.671 ' HD2' HD13 ' B' ' 115' ' ' LEU . 18.0 ptpt -74.92 -40.84 60.62 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.987 -0.53 . . . . 63.01 110.889 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' B' ' 127' ' ' LYS . 32.1 pt -66.96 -26.28 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 119.026 0.83 . . . . 54.03 110.706 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -73.73 -42.74 60.74 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 122.122 -0.361 . . . . 73.42 110.834 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.69 -35.4 80.92 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.408 0.683 . . . . 64.42 111.409 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 66.3 mmtt -96.67 -50.52 4.67 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.21 -0.904 . . . . 74.01 111.127 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -101.94 -24.43 14.01 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.797 0.439 . . . . 75.13 111.873 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 88.68 15.43 59.84 Favored Glycine 0 N--CA 1.479 1.526 0 CA-C-O 120.118 -0.268 . . . . 71.14 113.591 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.413 HD13 HD21 ' B' ' 169' ' ' LEU . 74.0 mt -74.64 121.56 85.53 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.657 0.783 . . . . 75.43 110.204 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.2 126.38 11.06 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.217 2.611 . . . . 72.14 112.229 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.607 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.2 Cg_endo -52.86 -47.27 28.33 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 123.951 3.101 . . . . 74.25 113.969 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -26.58 66.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.35 111.153 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -109.52 15.96 22.57 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.591 0.757 . . . . 61.41 111.242 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.518 ' HB2' HD11 ' B' ' 169' ' ' LEU . 0.5 OUTLIER -115.57 136.91 52.6 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.866 -0.791 . . . . 73.54 108.866 171.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -117.14 85.41 2.32 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.319 1.047 . . . . 75.14 108.195 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.36 110.08 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.734 -0.839 . . . . 70.34 108.734 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 144' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' B' ' 168' ' ' ILE . 20.4 t70 -99.14 138.78 35.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.285 0.564 . . . . 64.31 110.086 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.402 ' HE1' ' OG ' ' B' ' 165' ' ' SER . 45.3 t80 -133.84 106.38 7.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.727 1.211 . . . . 63.15 108.83 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.49 27.72 16.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.055 0.942 . . . . 71.42 112.479 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.68 3.47 64.4 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 116.389 -0.369 . . . . 72.14 113.133 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -127.71 117.75 22.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.827 0.851 . . . . 75.11 110.215 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 69.2 mt-30 -68.61 150.7 47.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.37 0.668 . . . . 73.52 111.147 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.608 HD11 HD23 ' B' ' 167' ' ' LEU . 88.7 mt -93.92 112.33 24.16 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.138 0.975 . . . . 75.11 111.25 -170.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 38.6 mt-10 -65.93 125.62 25.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.652 0.781 . . . . 75.32 109.393 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.58 -31.26 64.06 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.169 0.988 . . . . 55.23 112.442 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -96.18 21.43 45.34 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.303 -0.408 . . . . 74.34 113.847 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.4 OUTLIER -111.35 158.71 18.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.81 0.844 . . . . 75.54 109.381 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 14.5 p -94.62 159.76 14.93 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.751 0.705 . . . . 74.11 111.304 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.21 -38.66 92.03 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 124.071 0.857 . . . . 65.24 109.264 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 157' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' B' ' 119' ' ' PRO . 12.9 t -65.7 -31.37 72.34 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.244 0.617 . . . . 64.34 111.822 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.0 -30.47 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.393 0.677 . . . . 74.45 110.965 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.93 -9.2 26.63 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.19 0.596 . . . . 74.32 110.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.4 t30 54.5 57.73 5.53 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.979 1.312 . . . . 71.51 110.359 -173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.11 116.67 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 114.238 -1.346 . . . . 70.31 110.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' B' ' 165' ' ' SER . 9.5 pt20 -85.29 155.15 21.48 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.373 0.606 . . . . 73.43 110.816 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 14.2 ptmm? -63.58 133.02 53.02 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.163 -0.926 . . . . 74.54 109.625 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 67.14 22.64 9.77 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.231 -1.349 . . . . 55.41 112.051 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' B' ' 162' ' ' GLN . 10.9 t -64.94 142.9 58.28 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 121.071 -0.252 . . . . 55.11 110.628 170.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.6 126.18 45.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.019 -0.734 . . . . 72.23 109.019 174.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.608 HD23 HD11 ' B' ' 150' ' ' LEU . 3.5 mp -122.7 124.37 43.25 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.516 -1.291 . . . . 60.31 107.516 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.4 tt -93.64 100.65 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 122.459 1.123 . . . . 70.41 110.324 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 141' ' ' GLN . 52.4 tp -77.31 106.87 9.32 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.995 -1.457 . . . . 64.34 109.863 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.36 162.73 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.421 -1.263 . . . . 75.11 109.028 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.603 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . 4.2 mp -87.81 176.83 7.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.36 -0.978 . . . . 53.41 108.36 170.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.2 t -36.69 129.53 0.79 Allowed 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.963 1.305 . . . . 62.41 113.024 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.99 -92.13 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.573 1.149 . . . . 75.14 109.219 -162.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--O 1.253 1.243 0 N-CA-C 106.921 -1.511 . . . . 72.24 106.921 172.336 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.969 -0.452 . . . . 60.32 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 46.0 t -80.58 83.06 6.44 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.531 0.682 . . . . 51.55 110.704 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.17 148.12 28.65 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.328 1.051 . . . . 54.13 109.8 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 38.0 t -173.27 -54.17 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.053 -0.721 . . . . 55.31 109.053 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.43 -168.35 0.21 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.585 1.154 . . . . 74.03 111.985 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 30.3 t -154.01 -169.06 3.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 71.03 109.511 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -83.49 -162.16 32.72 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.621 0.153 . . . . 74.24 113.272 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 95.6 mmm -118.44 127.07 53.31 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.368 0.667 . . . . 74.24 111.106 -177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 741' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' C' ' 745' ' ' ASP . . . -172.0 -34.37 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.571 1.548 . . . . 20.52 109.442 176.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t 81.11 -70.15 0.08 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.562 1.945 . . . . 51.43 111.501 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -76.95 -55.99 4.98 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.865 0.364 . . . . 75.34 111.193 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.08 -23.19 65.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.756 -0.656 . . . . 70.43 110.735 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' C' ' 741' ' ' ALA . 21.2 t70 -82.57 -47.8 11.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 122.86 0.464 . . . . 73.35 111.345 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 19.1 pt20 -57.07 -46.39 82.53 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 123.715 0.634 . . . . 62.12 111.716 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 16.0 ptpt -60.02 -44.38 94.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.764 0.665 . . . . 64.32 110.826 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.273 0.629 . . . . 64.45 111.238 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.17 -40.5 85.79 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.771 0.669 . . . . 74.41 109.83 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 750' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 24.8 mm-40 -69.51 -44.15 71.63 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.083 -0.962 . . . . 64.41 111.678 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 45.0 mt -69.35 -34.58 74.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.662 0.385 . . . . 61.33 110.742 -177.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.62 -37.01 68.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.848 -0.797 . . . . 61.15 108.848 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 753' ' ' LEU . . . . . 0.475 HD11 HE22 ' A' ' 49' ' ' GLN . 0.5 OUTLIER -67.21 -38.5 85.41 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 109.695 -0.483 . . . . 73.53 109.695 175.317 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.422 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 17.6 m-30 -63.98 -39.89 95.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.794 0.838 . . . . 72.11 108.847 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.44 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 17.1 t-105 -66.94 -36.73 82.9 Favored 'General case' 0 C--O 1.195 -1.808 0 CA-C-N 114.456 -1.247 . . . . 62.32 110.503 173.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -62.32 -37.45 85.66 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.768 0.713 . . . . 55.32 110.623 176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.587 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.4 m-85 -65.65 -60.76 2.58 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.865 -0.607 . . . . 61.21 109.964 177.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.08 -36.18 76.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 124.252 0.97 . . . . 64.3 111.042 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' C' ' 755' ' ' TRP . 7.7 tt0 -67.21 -53.86 26.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.583 0.753 . . . . 74.14 109.68 -177.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.41 65.71 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.243 0.617 . . . . 62.22 111.283 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.468 ' HE2' HD22 ' C' ' 765' ' ' LEU . 27.0 ttt -70.38 -44.65 67.63 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.148 -0.933 . . . . 65.34 109.931 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.798 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 78.8 mt -74.68 -19.42 60.27 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.343 1.057 . . . . 72.44 111.665 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 63.2 m -70.95 -25.06 62.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.196 0.998 . . . . 73.13 111.101 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -109.0 -56.59 2.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.397 -0.964 . . . . 72.41 108.397 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' C' ' 761' ' ' MET . 8.4 mp -80.31 78.92 6.96 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.339 1.456 . . . . 64.54 108.222 172.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.99 43.31 0.43 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 112.121 0.415 . . . . 63.33 112.121 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 14.8 p 173.33 118.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.982 1.713 . . . . 63.21 109.649 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.51 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 2.6 pp -164.82 161.54 20.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.27 0.628 . . . . 70.5 111.354 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 13.3 t -86.89 155.01 20.41 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 122.961 0.504 . . . . 71.43 109.779 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.22 -30.61 60.32 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 124.273 1.029 . . . . 74.34 110.197 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.3 -59.74 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.498 1.119 . . . . 75.13 112.402 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.51 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 99.6 mtt180 -52.25 -52.5 52.16 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.983 0.913 . . . . 65.12 111.746 -174.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -74.04 -29.9 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.718 -1.128 . . . . 71.22 111.544 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -68.17 -41.32 81.68 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 109.423 -0.584 . . . . 73.54 109.423 173.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.03 -49.65 73.75 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.816 0.698 . . . . 73.11 110.251 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 776' ' ' MET . . . . . 0.44 ' HG2' ' HA ' ' C' ' 773' ' ' ILE . 19.1 ptp -65.99 -46.43 78.06 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 115.908 -0.587 . . . . 73.4 110.613 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.605 HD23 HD21 ' C' ' 795' ' ' LEU . 6.9 mp -59.44 -37.04 77.11 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 118.052 0.387 . . . . 72.35 111.586 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.3 tpt180 -68.14 -37.1 80.69 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.595 -0.729 . . . . 73.03 110.356 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 779' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 66' ' ' ALA . 61.6 ttp -61.99 -51.29 68.65 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.739 -0.664 . . . . 65.43 110.754 174.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 780' ' ' PHE . . . . . 0.494 ' HZ ' HG21 ' A' ' 68' ' ' ILE . 37.8 m-85 -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.978 0.511 . . . . 54.53 111.281 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.529 HG11 HG12 ' C' ' 790' ' ' ILE . 2.7 p -75.19 -36.65 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.173 -0.467 . . . . 65.35 111.113 -177.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.9 p -74.54 -33.91 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.131 0.423 . . . . 63.12 111.454 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.7 p -69.53 -21.87 63.62 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 54.54 112.522 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.35 -175.51 14.01 Favored Glycine 0 N--CA 1.469 0.846 0 CA-C-O 119.796 -0.447 . . . . 74.33 113.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.49 -22.69 12.09 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.941 2.427 . . . . 63.3 112.183 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 786' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' C' ' 750' ' ' GLU . . . 25.93 -88.94 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.792 2.437 . . . . 72.44 115.915 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.17 30.03 0.87 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.73 0.812 . . . . 70.53 109.705 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 61.84 48.51 5.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.659 1.183 . . . . 62.13 112.654 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 72.81 119.04 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.416 1.487 . . . . 54.42 112.517 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.529 HG12 HG11 ' C' ' 781' ' ' VAL . 26.8 pt -65.13 174.36 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.318 1.047 . . . . 72.44 111.186 173.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.95 160.12 42.28 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.077 -0.712 . . . . 62.04 109.077 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.09 -48.84 78.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.206 0.602 . . . . 61.43 112.492 -174.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.17 69.69 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.807 0.731 . . . . 73.44 111.561 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.77 -34.47 52.31 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.105 0.479 . . . . 72.01 110.442 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.605 HD21 HD23 ' C' ' 777' ' ' LEU . 0.4 OUTLIER -83.84 -53.04 5.88 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.719 0.808 . . . . 61.31 109.371 -173.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -49.73 -41.18 43.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.315 0.646 . . . . 74.31 109.608 164.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -52.55 -44.98 59.83 Favored Glycine 0 C--N 1.356 1.678 0 O-C-N 124.163 0.914 . . . . 52.45 114.008 170.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 15.9 t80 -61.03 -50.8 71.89 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.429 0.691 . . . . 72.43 110.924 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' C' ' 773' ' ' ILE . 3.9 mm? -61.47 -50.84 71.16 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.059 -0.519 . . . . 71.53 111.703 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.68 -31.77 73.14 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.049 0.843 . . . . 63.53 109.759 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 801' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.1 OUTLIER -61.5 -56.49 19.51 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 107.843 -1.169 . . . . 74.54 107.843 173.603 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 75.6 mmtt -53.67 -40.23 65.76 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 124.312 1.008 . . . . 51.44 112.604 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.1 -45.66 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.828 0.451 . . . . 71.34 110.681 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -78.05 -10.0 59.4 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.919 0.488 . . . . 72.32 111.725 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -92.48 -4.65 53.3 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.77 1.228 . . . . 65.45 111.547 170.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.26 14.44 9.72 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.297 1.439 . . . . 63.21 112.355 -176.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -85.58 -11.41 54.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.233 1.013 . . . . 65.1 110.998 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.6 OUTLIER -149.16 150.2 32.27 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.369 0.668 . . . . 55.32 109.37 -176.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 809' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' C' ' 818' ' ' PRO . 68.7 t -105.3 143.9 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.347 1.059 . . . . 71.43 110.403 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -121.66 115.84 23.48 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.505 1.122 . . . . 63.55 108.136 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -91.06 -144.66 0.18 Allowed 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.181 -1.044 . . . . 75.12 108.181 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.28 77.64 1.33 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.459 0.572 . . . . 44.14 110.262 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.7 79.76 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.391 -0.822 . . . . 65.11 113.555 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 32.3 m -133.42 150.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.095 0.558 . . . . 75.1 110.513 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -100.98 147.27 26.37 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.206 0.602 . . . . 64.11 110.974 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' C' ' 762' ' ' LEU . 11.1 ptt180 -159.74 146.09 16.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.0 -1.0 . . . . 54.25 109.431 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.798 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 1.9 tp -80.31 138.64 52.06 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 117.96 0.345 . . . . 70.25 110.202 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 818' ' ' PRO . . . . . 0.402 ' HD3' HG23 ' C' ' 809' ' ' VAL . 38.2 Cg_endo -70.15 128.16 15.29 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.919 1.746 . . . . 73.2 110.878 170.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.1 154.92 38.92 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.909 0.884 . . . . 61.24 108.891 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -68.09 159.71 30.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.008 0.523 . . . . 72.34 111.302 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 50.1 t -166.08 -52.88 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.045 0.938 . . . . 61.12 109.08 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.251 1.156 0 N-CA-C 108.307 -0.997 . . . . 53.33 108.307 -175.818 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.53 -0.628 . . . . 54.15 111.53 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.79 147.28 22.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.496 0.718 . . . . 74.15 109.326 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.526 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 2.9 pm0 -93.93 155.89 16.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.11 0.564 . . . . 63.13 109.551 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -126.34 152.4 33.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 108.418 -0.956 . . . . 72.13 108.418 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -106.6 114.12 28.04 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.934 -1.506 . . . . 75.43 106.934 166.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 p -105.44 110.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 122.126 0.965 . . . . 71.41 108.535 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' HB2' HG22 ' B' ' 168' ' ' ILE . 12.4 m-20 -91.0 104.33 16.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 75.25 110.699 -166.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.0 p -89.52 108.58 19.74 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.279 -1.008 . . . . 74.34 108.279 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.49 136.87 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.715 0.806 . . . . 73.0 110.068 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.23 118.65 21.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.203 1.001 . . . . 74.22 109.148 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -109.97 116.5 31.71 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.136 -1.061 . . . . 75.34 108.136 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.7 129.34 14.08 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.087 0.47 . . . . 63.15 111.25 -171.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 8.6 m -88.64 115.99 26.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.508 -0.769 . . . . 72.25 110.098 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 12.9 mt -93.26 157.58 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 108.709 -0.849 . . . . 52.41 108.709 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -120.64 121.82 39.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.089 -1.078 . . . . 75.51 108.089 174.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 105' ' ' VAL . 1.2 pt? -137.66 163.88 30.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.231 0.612 . . . . 74.43 110.068 -177.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -107.81 137.08 46.46 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.483 0.713 . . . . 75.2 109.404 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.1 163.05 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.379 -1.282 . . . . 75.45 108.352 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -115.63 148.54 41.29 Favored Pre-proline 0 N--CA 1.488 1.462 0 CA-C-N 118.389 0.54 . . . . 50.14 109.937 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.0 Cg_endo -65.3 -26.47 56.26 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.744 2.296 . . . . 72.42 112.672 -175.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p -83.18 -16.29 47.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.507 0.723 . . . . 70.11 111.856 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.07 159.6 34.41 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 109.673 -0.492 . . . . 74.0 109.673 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -89.17 160.01 17.19 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.834 0.709 . . . . 65.0 110.548 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.57 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 31.6 mm -69.76 -25.29 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 114.336 -1.302 . . . . 75.14 110.089 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 27' ' ' LYS . 12.7 pt-20 -60.49 -23.27 64.37 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 124.171 0.988 . . . . 72.41 111.551 -176.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -63.8 -54.65 31.81 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.139 0.899 . . . . 62.44 109.598 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -47.24 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.003 -0.999 . . . . 54.02 109.733 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -58.42 -45.09 89.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.555 1.542 . . . . 64.41 111.393 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.24 73.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.118 -0.492 . . . . 64.52 110.932 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 53.6 mtmt -64.72 -51.15 63.93 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 123.686 0.616 . . . . 64.35 111.047 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.558 ' HB ' HD11 ' A' ' 36' ' ' ILE . 13.9 pt -67.94 -30.14 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 117.686 0.221 . . . . 75.51 110.925 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.7 -45.97 84.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 110.382 -0.229 . . . . 64.4 110.382 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.59 -45.63 86.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.56 0.744 . . . . 72.32 110.877 -174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 66.3 mmtt -84.44 -51.22 7.1 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.298 -0.865 . . . . 54.12 110.999 -172.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.78 -4.31 23.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.172 0.589 . . . . 64.1 112.268 -167.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.52 29.54 65.7 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.45 0.468 . . . . 34.12 114.151 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.558 HD11 ' HB ' ' A' ' 30' ' ' ILE . 23.7 pt -102.58 102.34 25.51 Favored Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 123.474 0.709 . . . . 72.42 111.101 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.38 146.12 79.51 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.717 2.278 . . . . 75.31 111.753 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -45.86 -39.73 19.3 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 124.771 3.648 . . . . 64.14 114.394 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.63 -39.17 91.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.631 0.772 . . . . 63.11 112.254 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -83.16 -23.65 32.84 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.401 0.62 . . . . 74.15 111.594 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.56 129.24 36.17 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.858 1.663 . . . . 73.34 109.526 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -132.38 70.79 1.46 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.814 0.846 . . . . 61.42 109.229 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.25 127.26 33.49 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.121 0.486 . . . . 41.2 110.027 177.134 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.629 HG12 ' HG3' ' A' ' 49' ' ' GLN . 22.8 mt -125.28 139.13 52.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 C-N-CA 123.583 0.753 . . . . 72.21 109.524 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -127.5 94.54 4.0 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.682 1.193 . . . . 62.31 109.039 -173.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.42 36.69 27.62 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.751 0.821 . . . . 74.43 111.201 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 -1.2 62.26 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 115.252 -0.885 . . . . 33.45 114.734 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -105.67 114.18 28.19 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.412 0.685 . . . . 64.02 110.763 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.629 ' HG3' HG12 ' A' ' 44' ' ' ILE . 2.7 mp0 -84.03 113.48 21.05 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.255 -1.017 . . . . 54.22 108.255 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 43' ' ' LEU . 22.1 mt -77.12 113.7 15.13 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.385 -0.37 . . . . 73.02 111.296 -167.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 3.0 tm-20 -80.18 129.73 34.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 105.652 -1.981 . . . . 73.43 105.652 173.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.57 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p-10 -65.73 -26.77 67.89 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.439 0.533 . . . . 42.32 112.439 -165.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.67 11.01 62.86 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 119.694 -0.503 . . . . 40.24 113.601 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' HG2' ' HB3' ' A' ' 51' ' ' GLU . 20.7 mmt85 -93.96 174.76 7.0 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.041 -0.726 . . . . 73.34 109.041 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 p -101.18 169.66 8.77 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.105 -0.702 . . . . 74.13 109.105 172.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.1 mm? -69.26 -36.46 77.15 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 109.093 -0.706 . . . . 74.43 109.093 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 14.8 t -68.1 -26.95 66.07 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.924 0.889 . . . . 75.43 110.986 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.89 -28.63 51.96 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.949 0.9 . . . . 63.05 111.516 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.488 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.1 m-85 -110.04 2.9 19.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.334 0.654 . . . . 73.44 112.718 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.66 32.78 13.62 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.788 0.804 . . . . 72.21 110.475 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 56' ' ' LEU . 96.2 mt -64.65 116.28 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.96 0.904 . . . . 65.43 109.515 177.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -123.26 -177.6 3.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.631 1.173 . . . . 64.4 109.659 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -70.31 141.93 52.29 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 120.889 0.376 . . . . 65.42 111.838 -172.447 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.8 31.47 21.26 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.402 1.689 . . . . 74.25 112.361 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -83.76 138.89 33.05 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.406 -0.815 . . . . 73.35 109.444 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 107.87 19.85 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.399 0.679 . . . . 65.24 111.576 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.6 tt -95.46 135.12 37.5 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.989 -1.486 . . . . 73.55 106.989 174.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.485 HD12 ' HE3' ' C' ' 776' ' ' MET . 2.6 tt -114.77 125.59 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 108.739 -0.837 . . . . 73.31 108.739 170.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HB3' ' HA ' ' B' ' 107' ' ' THR . 37.8 tp -87.62 127.77 35.27 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.133 -0.691 . . . . 74.0 109.133 172.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 757' ' ' TYR . 4.0 mp -115.41 158.05 23.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.28 -1.378 . . . . 74.33 107.28 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.49 170.14 8.79 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 109.568 -0.53 . . . . 52.42 109.568 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.9 m -32.97 107.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.618 1.567 . . . . 71.01 113.38 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' C' ' 763' ' ' THR . 0.5 OUTLIER -72.88 -32.84 65.66 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.812 -0.631 . . . . 74.15 111.564 177.038 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG2' HD13 ' A' ' 73' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 123.433 0.693 . . . . 75.04 109.761 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.129 -0.389 . . . . 74.4 112.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -99.74 147.62 25.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.257 0.551 . . . . 74.34 109.913 175.655 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 152.7 22.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 70.05 109.581 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.91 157.68 20.56 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 123.248 0.619 . . . . 63.04 109.586 168.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 26.8 m-85 -111.8 110.51 20.9 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.199 -1.037 . . . . 75.03 108.199 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 15' ' ' LEU . 29.7 m -103.4 107.17 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-O 121.727 0.775 . . . . 74.3 110.297 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 32.5 t0 -81.99 98.31 8.53 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.618 -0.882 . . . . 55.41 108.618 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.587 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 9.5 t -97.33 137.01 36.98 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 115.795 -0.639 . . . . 73.32 112.439 -168.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.541 HG12 HD21 ' C' ' 765' ' ' LEU . 27.5 m -95.4 130.9 43.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.612 -1.176 . . . . 73.13 109.738 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -128.89 98.32 4.92 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.052 -0.721 . . . . 74.02 109.052 171.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -102.7 127.52 49.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.91 1.284 . . . . 74.32 108.814 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.39 109.99 6.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.499 0.72 . . . . 70.25 109.804 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 60.5 m -81.28 109.97 16.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.495 0.718 . . . . 73.21 109.9 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mm -95.99 169.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 108.242 -1.021 . . . . 73.2 108.242 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 35.5 m -132.32 138.12 47.68 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.559 -0.713 . . . . 73.23 110.553 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.51 167.38 22.29 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.093 0.957 . . . . 71.13 109.062 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 1.4 tm-20 -125.02 132.13 53.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.144 -1.428 . . . . 74.14 107.144 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.35 164.09 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 117.865 0.302 . . . . 55.53 111.314 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -104.31 151.42 39.09 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.364 -0.606 . . . . 72.21 109.364 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.41 -34.37 34.71 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.447 2.098 . . . . 72.15 112.096 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -75.74 -15.75 60.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 122.829 0.452 . . . . 70.43 111.802 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.67 148.06 50.96 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.983 -0.377 . . . . 73.32 109.983 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 7.7 p -77.9 161.95 27.2 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.791 0.682 . . . . 64.13 110.035 169.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.56 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 46.5 mm -64.94 -27.76 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.262 -0.881 . . . . 71.33 109.447 172.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -43.35 -45.34 6.0 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.505 1.522 . . . . 74.45 111.721 170.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 23.3 m120 -55.87 -54.35 45.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.702 0.626 . . . . 74.33 110.737 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.18 -52.01 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.087 0.955 . . . . 73.4 111.216 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.12 73.54 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.066 -0.515 . . . . 54.44 111.808 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.99 60.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.585 0.354 . . . . 72.13 111.407 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 9.2 mmpt? -74.57 -49.06 23.27 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.998 -0.371 . . . . 75.41 109.998 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.544 ' HB ' HD12 ' B' ' 136' ' ' ILE . 16.4 pt -67.86 -27.1 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 121.905 0.082 . . . . 64.53 111.103 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.52 -41.64 68.97 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.356 0.662 . . . . 75.0 111.256 170.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.91 -50.02 75.39 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.448 0.642 . . . . 53.55 110.002 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -75.94 -70.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.441 -1.254 . . . . 74.43 111.034 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.39 -10.59 27.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.139 0.576 . . . . 73.02 112.271 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.96 31.96 54.29 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 120.053 -0.304 . . . . 75.2 113.298 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.544 HD12 ' HB ' ' B' ' 130' ' ' ILE . 52.5 mt -75.59 111.18 13.04 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.222 0.609 . . . . 74.43 110.033 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' B' ' 141' ' ' GLN . 10.8 Cg_exo -71.9 123.21 9.14 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.411 2.741 . . . . 73.34 111.937 -174.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.29 -28.85 73.84 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 123.891 3.061 . . . . 64.44 112.593 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.015 -1.448 . . . . 75.04 110.838 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.454 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 75.7 mt-30 -109.25 20.71 17.99 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.989 0.915 . . . . 71.0 111.306 -172.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 137' ' ' PRO . 24.9 tt0 -102.38 100.02 10.13 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.911 0.884 . . . . 60.02 109.698 -171.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' B' ' 173' ' ' LEU . 60.2 ttt-85 -87.74 94.03 9.62 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.342 -0.984 . . . . 72.41 108.342 173.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 150' ' ' LEU . 4.1 mp -77.47 143.88 38.18 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.351 -0.981 . . . . 74.53 108.351 174.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.06 119.61 11.7 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.987 -1.116 . . . . 65.12 107.987 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.597 ' HB2' HD21 ' B' ' 150' ' ' LEU . 28.1 t80 -133.35 100.42 4.83 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 107.991 -1.114 . . . . 65.41 107.991 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.45 32.77 6.87 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.036 0.835 . . . . 71.44 110.995 -171.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.29 2.58 65.8 Favored Glycine 0 C--N 1.358 1.775 0 N-CA-C 115.016 0.766 . . . . 73.2 115.016 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -111.12 127.84 55.7 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 117.826 0.813 . . . . 72.2 110.145 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.96 137.52 38.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 170.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -91.21 103.09 15.81 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.439 -0.948 . . . . 73.44 108.439 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.44 131.95 47.71 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 109.169 -0.678 . . . . 53.22 109.169 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.7 p-10 -62.0 -28.83 69.85 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.361 1.064 . . . . 71.21 113.03 -169.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.31 3.42 81.54 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 119.718 -0.49 . . . . 51.01 114.076 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.72 176.59 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.018 0.927 . . . . 74.3 108.842 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 3.5 p -112.51 169.4 8.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.24 0.616 . . . . 73.24 110.426 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -38.95 88.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.865 -1.061 . . . . 71.01 109.147 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.2 t -62.93 -38.45 91.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.597 0.759 . . . . 61.11 110.391 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.93 -23.88 55.43 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.887 0.875 . . . . 75.02 111.688 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -111.13 0.64 16.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.56 0.744 . . . . 73.13 112.579 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.48 55.91 8.02 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 122.298 1.047 . . . . 64.04 110.125 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.4 mm -69.35 117.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 114.616 -1.174 . . . . 64.11 109.974 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' GLN . . . . . 0.509 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -87.43 150.55 23.71 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 123.393 0.677 . . . . 74.33 110.026 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.97 144.86 32.26 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.872 -0.788 . . . . 64.21 108.872 170.087 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.258 0.2 OUTLIER 54.8 24.08 5.41 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.665 1.586 . . . . 65.44 113.417 -177.315 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 64.7 p -60.64 138.11 58.1 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 119.668 -0.206 . . . . 75.45 111.28 168.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.97 34.48 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.413 -0.588 . . . . 72.11 109.413 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 109.09 7.92 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.254 -1.017 . . . . 42.41 108.254 -171.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 6' ' ' ASP . 3.5 pt -98.84 141.4 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 CA-C-N 118.816 0.735 . . . . 72.25 111.019 -170.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 91.7 mt -106.43 113.48 27.02 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.999 1.32 . . . . 65.12 109.283 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.85 159.58 16.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.336 1.054 . . . . 73.03 109.391 170.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.19 154.44 39.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.646 -0.501 . . . . 52.44 109.646 168.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.454 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.4 t -42.28 114.01 0.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.247 1.419 . . . . 70.23 113.204 -175.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 173' ' ' LEU . . . . . 0.516 ' HB3' ' HD2' ' B' ' 142' ' ' ARG . 33.9 tp -172.31 171.97 4.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.711 1.204 . . . . 70.45 107.818 -172.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.218 0 N-CA-C 108.662 -0.866 . . . . 75.34 108.662 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.764 -0.535 . . . . 74.11 111.764 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 23.5 m -102.44 102.75 13.09 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.789 0.836 . . . . 50.43 109.391 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -148.92 139.72 22.8 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.518 0.727 . . . . 75.12 109.827 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 61.3 p -178.79 -34.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.99 1.316 . . . . 74.31 109.008 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.61 -86.75 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.246 1.418 . . . . 75.04 111.543 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 42.1 m -139.42 -177.21 4.83 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 72.42 110.938 -173.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -156.51 107.08 0.31 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.92 -1.672 . . . . 74.31 108.92 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 63.5 mtm -86.83 -30.33 21.56 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.471 0.545 . . . . 72.43 112.471 -167.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -158.68 101.6 1.66 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.95 0.9 . . . . 61.44 109.204 -175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 20.2 m -71.32 71.72 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.658 1.183 . . . . 61.33 110.522 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -179.21 -47.18 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.025 2.13 . . . . 65.34 106.779 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 744' ' ' ALA . . . . . 0.437 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . -86.38 -49.71 7.44 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 114.241 -1.345 . . . . 73.21 112.142 -175.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -52.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 124.75 1.281 . . . . 43.22 111.108 -170.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 0.4 OUTLIER -45.92 -51.94 12.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.382 1.473 . . . . 73.45 113.589 -176.792 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 38.9 mtmt -60.19 -56.4 22.07 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.65 0.738 . . . . 44.22 111.101 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -48.06 -42.96 29.94 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 113.754 -1.566 . . . . 60.14 111.751 172.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 749' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' C' ' 753' ' ' LEU . 42.9 mt-10 -70.96 -29.6 65.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.379 -0.828 . . . . 73.54 110.858 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 750' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 14.6 mm-40 -65.98 -43.91 86.41 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.944 -0.762 . . . . 75.03 108.944 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.7 -47.6 84.0 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.298 0.999 . . . . 74.44 110.365 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.42 -29.93 69.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.677 -1.147 . . . . 61.43 109.797 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 753' ' ' LEU . . . . . 0.497 HD21 ' OE1' ' A' ' 49' ' ' GLN . 1.3 tm? -75.75 -33.39 60.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.029 0.932 . . . . 75.02 110.092 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -70.3 -31.73 69.18 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.198 -0.668 . . . . 73.03 109.198 172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.405 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 26.0 t-105 -74.72 -31.87 61.98 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.16 -0.473 . . . . 73.04 110.792 172.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 37.7 m -67.36 -32.71 73.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.887 -0.782 . . . . 70.25 108.887 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.445 ' HA ' HD21 ' A' ' 70' ' ' LEU . 10.3 m-85 -62.49 -67.95 0.37 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 115.707 -0.679 . . . . 75.53 109.636 170.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.47 -30.91 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 O-C-N 123.563 0.539 . . . . 64.14 111.981 -166.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' C' ' 817' ' ' LEU . 7.3 tt0 -76.25 -54.88 6.15 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.134 -0.354 . . . . 70.32 110.833 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -70.43 -19.09 63.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.95 0.5 . . . . 55.32 111.876 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.677 ' HB2' HD12 ' C' ' 765' ' ' LEU . 26.6 ptm -85.19 -53.02 5.52 Favored 'General case' 0 CA--C 1.556 1.175 0 CA-C-O 118.796 -0.621 . . . . 71.31 110.036 170.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.491 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 24.2 mt -67.83 -17.13 64.41 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 118.966 0.803 . . . . 74.43 112.779 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.2 t -64.45 -18.49 64.8 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.555 0.693 . . . . 65.32 110.315 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.09 -44.74 3.9 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.179 0.992 . . . . 64.25 109.949 171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' C' ' 761' ' ' MET . 33.5 mt -97.03 25.99 5.0 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.438 1.095 . . . . 64.03 112.461 -164.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.423 ' HA ' HD22 ' C' ' 762' ' ' LEU . 5.7 pt-20 -64.24 76.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.655 0.983 . . . . 62.55 113.655 -170.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 26.3 m -174.52 20.21 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.328 1.451 . . . . 60.52 110.511 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.547 HD23 HH11 ' C' ' 772' ' ' ARG . 98.5 mt -104.41 118.98 37.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.946 -0.471 . . . . 72.24 110.759 -166.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 769' ' ' SER . . . . . 0.6 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 23.0 t -66.28 162.53 19.93 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.593 0.757 . . . . 60.22 111.325 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' C' ' 815' ' ' TYR . 0.2 OUTLIER -54.5 -43.89 72.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 114.334 -1.303 . . . . 73.43 110.292 178.649 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.24 -44.33 75.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.801 0.84 . . . . 72.04 111.994 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.547 HH11 HD23 ' C' ' 768' ' ' LEU . 76.3 mtt180 -64.87 -59.75 3.84 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.175 -0.92 . . . . 71.04 109.959 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.436 HD11 HD11 ' C' ' 799' ' ' LEU . 2.6 pp -66.58 -20.44 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.357 -1.292 . . . . 64.23 110.858 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.85 -57.94 7.53 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.487 0.715 . . . . 73.11 109.538 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -56.43 -38.56 71.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.824 0.702 . . . . 71.24 111.223 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 776' ' ' MET . . . . . 0.485 ' HE3' HD12 ' A' ' 68' ' ' ILE . 68.7 mtp -62.98 -59.1 5.29 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.473 -0.785 . . . . 65.4 111.724 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.491 HD22 HD13 ' C' ' 795' ' ' LEU . 7.3 mp -60.61 -32.1 71.24 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.242 0.617 . . . . 74.42 112.157 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -58.65 -53.43 58.4 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 123.988 0.805 . . . . 63.13 109.697 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 779' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' C' ' 780' ' ' PHE . 1.3 tmt? -50.2 -56.57 10.51 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.825 0.703 . . . . 73.31 110.37 173.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 780' ' ' PHE . . . . . 0.452 ' CD1' ' SD ' ' C' ' 779' ' ' MET . 16.7 m-85 -58.99 -33.39 70.64 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 113.376 0.88 . . . . 75.44 113.376 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.463 HG21 ' H ' ' C' ' 790' ' ' ILE . 3.6 p -88.94 -29.88 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 112.145 0.424 . . . . 73.42 112.145 -175.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.98 -26.8 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 122.583 0.353 . . . . 71.41 111.154 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 20.3 p -65.23 -24.81 67.44 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.43 0.456 . . . . 75.11 111.145 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -116.12 170.46 13.35 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 123.918 0.761 . . . . 63.01 111.889 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -82.81 4.68 6.92 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.802 2.335 . . . . 64.0 111.878 169.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.43 112.87 0.65 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.963 1.705 . . . . 70.21 112.075 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 13.6 mt 66.34 9.02 6.09 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.792 1.237 . . . . 71.42 112.237 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 54.87 38.97 31.23 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.442 1.097 . . . . 40.42 111.446 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 73.74 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.175 1.79 . . . . 74.43 111.483 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.463 ' H ' HG21 ' C' ' 781' ' ' VAL . 44.6 pt -74.23 156.71 6.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 123.34 0.656 . . . . 71.11 110.631 172.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.96 173.01 6.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.613 1.165 . . . . 72.01 108.943 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.55 -49.82 66.84 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.951 1.3 . . . . 63.42 111.631 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -68.25 -29.47 68.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.561 0.344 . . . . 63.43 111.281 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.11 -51.73 43.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.154 0.582 . . . . 74.51 110.127 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.491 HD13 HD22 ' C' ' 777' ' ' LEU . 16.8 tp -68.2 -53.23 26.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.406 -0.815 . . . . 71.4 111.198 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.36 -40.86 87.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.543 0.737 . . . . 74.53 110.619 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.62 96.04 Favored Glycine 0 C--N 1.351 1.395 0 O-C-N 123.913 0.758 . . . . 62.33 113.364 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.405 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 31.2 t80 -64.81 -43.89 91.66 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.469 0.708 . . . . 75.05 110.289 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.436 HD11 HD11 ' C' ' 773' ' ' ILE . 52.6 mt -69.88 -42.27 73.66 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.709 1.204 . . . . 52.42 111.384 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.24 -47.82 83.94 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.419 1.088 . . . . 74.22 109.495 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -51.05 71.02 Favored 'General case' 0 C--O 1.211 -0.936 0 O-C-N 124.68 1.238 . . . . 71.13 110.355 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' C' ' 808' ' ' LEU . 0.0 OUTLIER -56.78 -41.57 77.91 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.907 1.283 . . . . 54.44 113.551 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.7 t -70.63 -41.42 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.664 0.786 . . . . 50.24 110.393 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.45 -10.4 59.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.309 0.644 . . . . 62.34 111.483 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.58 -4.37 59.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.202 1.001 . . . . 71.33 108.985 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 70.54 12.03 7.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.755 1.622 . . . . 73.42 112.603 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.6 8.97 23.02 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.326 0.651 . . . . 74.43 111.389 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 1.2 tt -145.85 143.3 29.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.725 -1.583 . . . . 73.52 106.725 169.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 39.8 t -112.62 124.82 69.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 123.495 0.718 . . . . 65.35 109.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -93.39 107.12 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.83 -1.174 . . . . 73.25 107.83 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.42 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.6 t -79.4 -153.32 0.07 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 108.208 -1.034 . . . . 70.12 108.208 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -67.94 77.63 0.22 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.719 0.69 . . . . 70.42 110.417 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.46 13.14 77.45 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.066 -0.97 . . . . 54.25 114.361 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' C' ' 769' ' ' SER . 11.4 m -124.47 147.7 28.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 117.855 0.827 . . . . 64.0 110.183 175.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 815' ' ' TYR . . . . . 0.412 ' HE2' ' HB2' ' C' ' 770' ' ' LEU . 92.0 m-85 -94.86 134.39 37.55 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.291 0.636 . . . . 70.12 110.226 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.412 ' HB2' ' HB2' ' C' ' 766' ' ' GLU . 5.1 ppt_? -154.66 142.75 20.26 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.772 -1.104 . . . . 72.44 108.616 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.491 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 73.0 mt -85.52 142.26 37.29 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 112.025 0.38 . . . . 54.22 112.025 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.73 118.64 4.21 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.877 2.385 . . . . 71.42 111.866 172.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -74.37 -16.66 60.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.928 0.491 . . . . 65.11 111.129 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.15 84.79 0.74 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 121.824 0.821 . . . . 71.04 110.443 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 60.7 m -85.62 -47.29 9.97 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.258 -0.883 . . . . 73.13 109.69 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 123.889 0.876 . . . . 51.54 109.434 -178.444 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.857 -0.497 . . . . 64.42 111.857 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.62 149.2 31.1 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.169 0.588 . . . . 72.12 110.303 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.7 OUTLIER -97.6 149.84 21.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.837 -0.801 . . . . 73.21 108.837 -173.41 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' B' ' 165' ' ' SER . 25.4 pt -137.93 153.53 27.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 CA-C-O 121.265 0.555 . . . . 71.12 110.521 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' HB3' HG23 ' B' ' 112' ' ' THR . 22.6 m-85 -106.64 108.15 19.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.152 -1.385 . . . . 74.13 108.167 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.638 HG11 HG21 ' B' ' 130' ' ' ILE . 35.1 t -96.77 97.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.45 -0.944 . . . . 63.0 108.45 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.03 109.21 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.327 -0.62 . . . . 43.51 109.327 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 7.7 t -90.05 142.72 27.44 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.745 -0.661 . . . . 41.33 109.439 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.58 120.0 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 122.081 0.943 . . . . 63.44 108.967 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -101.76 84.75 2.6 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.888 -1.051 . . . . 52.11 108.713 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.52 ' HB2' HD11 ' C' ' 765' ' ' LEU . 8.5 t-105 -100.72 103.14 14.38 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 105.762 -1.94 . . . . 73.32 105.762 168.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -152.7 131.78 12.65 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.483 0.549 . . . . 72.4 112.483 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.514 HG22 ' HB3' ' B' ' 104' ' ' PHE . 5.2 m -92.8 107.27 19.09 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.394 -1.275 . . . . 75.1 109.11 176.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 mt -94.42 170.45 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.754 1.222 . . . . 72.24 109.244 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.9 m -125.65 133.88 52.05 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.391 0.676 . . . . 71.1 110.257 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -136.65 169.32 17.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.665 1.186 . . . . 70.13 108.528 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' B' ' 102' ' ' GLN . 31.0 mt-10 -120.2 145.61 46.82 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.569 0.748 . . . . 52.54 110.49 173.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -154.36 167.51 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 CA-C-N 114.741 -1.118 . . . . 74.04 110.622 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 40.1 mm-40 -100.59 148.32 34.82 Favored Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 123.544 0.738 . . . . 74.24 110.593 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 54.0 Cg_endo -67.38 -32.82 31.6 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.995 2.463 . . . . 32.1 112.433 -178.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -90.87 -3.29 57.47 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.222 -0.899 . . . . 72.52 111.813 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.67 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -77.97 170.72 16.12 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.847 0.459 . . . . 73.55 109.995 -178.299 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -89.3 163.72 15.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.741 0.781 . . . . 71.11 112.432 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 HD12 ' A' ' 50' ' ' LEU . 48.0 mm -78.87 -32.31 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 114.407 -1.27 . . . . 65.11 110.51 176.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -62.01 -30.12 70.74 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.378 0.671 . . . . 52.52 110.979 176.371 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.7 t30 -56.96 -59.18 5.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.969 -1.014 . . . . 75.51 109.896 170.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD11 ' A' ' 56' ' ' LEU . 44.2 t -58.94 -40.85 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.366 1.066 . . . . 54.32 110.828 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HD3' ' HG3' ' A' ' 38' ' ' PRO . 3.7 tmmm? -57.36 -49.25 76.77 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.079 1.351 . . . . 62.55 110.633 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.13 70.27 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.836 -0.62 . . . . 64.31 111.102 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.7 mmtp -65.85 -44.95 83.92 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.113 0.565 . . . . 74.44 111.189 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HB ' HD12 ' A' ' 36' ' ' ILE . 19.9 pt -73.27 -30.15 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 110.475 -0.194 . . . . 70.21 110.475 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -71.48 -27.35 63.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.05 0.54 . . . . 54.2 110.627 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.55 -51.31 10.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.873 0.869 . . . . 73.44 110.611 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -89.69 -46.91 8.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.422 -0.808 . . . . 63.02 111.633 -170.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.41 -22.62 17.04 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 122.875 0.47 . . . . 74.44 110.996 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 23.47 61.05 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.16 0.288 . . . . 52.44 113.694 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.496 HG21 HD22 ' A' ' 69' ' ' LEU . 83.0 mt -73.26 115.05 37.09 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 123.671 0.788 . . . . 75.11 110.756 -176.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.9 Cg_endo -83.74 108.29 1.43 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.635 2.89 . . . . 71.12 111.388 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HG3' ' HD3' ' A' ' 27' ' ' LYS . 54.9 Cg_endo -62.51 -30.76 80.11 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 123.417 2.745 . . . . 51.52 113.209 -172.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -39.61 78.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.789 1.236 . . . . 71.03 111.412 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -108.58 1.85 21.68 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.569 -0.741 . . . . 71.32 111.143 -178.192 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -124.27 98.94 5.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.571 -0.9 . . . . 71.52 108.571 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -78.34 107.28 10.84 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 109.32 -0.622 . . . . 71.23 109.32 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.5 mp -77.76 143.86 37.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.422 -0.808 . . . . 70.23 109.617 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 68.9 mt -140.49 128.2 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.029 0.932 . . . . 35.22 109.287 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HE1' ' HG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -114.33 107.26 15.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.447 1.099 . . . . 64.05 109.09 -178.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.92 28.14 17.18 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.072 0.858 . . . . 63.4 112.593 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.24 11.14 57.7 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.932 0.733 . . . . 64.23 114.932 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -132.06 114.01 14.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.526 0.663 . . . . 71.34 109.358 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 13.9 pt20 -66.86 137.91 56.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.83 0.852 . . . . 74.01 111.121 -174.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 23' ' ' ILE . 3.6 mm? -73.96 152.15 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.131 0.572 . . . . 73.33 111.553 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -143.72 126.96 16.63 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.721 1.208 . . . . 63.54 108.466 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.696 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 56.1 m-20 -50.58 -41.78 54.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.575 1.55 . . . . 75.14 113.805 -169.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.02 54.52 Favored Glycine 0 C--N 1.336 0.581 0 CA-C-N 115.664 -0.698 . . . . 60.22 114.638 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.5 177.24 5.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.424 0.689 . . . . 73.34 109.887 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -106.19 166.4 10.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.218 1.007 . . . . 72.32 109.469 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.8 mm? -64.24 -55.49 21.19 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.199 0.6 . . . . 65.03 110.618 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -64.26 -14.77 57.81 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.354 0.872 . . . . 74.42 113.354 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.51 -38.77 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.396 0.678 . . . . 74.33 109.894 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.502 ' HB2' HG13 ' A' ' 61' ' ' ILE . 23.4 m-85 -94.1 4.29 54.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.676 0.79 . . . . 65.51 110.992 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.94 40.25 7.47 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.442 1.115 . . . . 62.24 109.517 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 59' ' ' TYR . 92.8 mt -73.79 94.81 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 114.315 -1.311 . . . . 75.02 109.597 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -89.42 -172.31 3.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.168 -1.378 . . . . 75.44 110.18 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 101' ' ' MET . 37.3 ttmt -70.97 151.9 44.17 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.654 -0.498 . . . . 60.14 109.654 173.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 51.41 22.61 1.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.89 2.076 . . . . 73.35 113.405 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.467 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 8.1 t -78.17 130.44 36.34 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.945 -0.761 . . . . 72.11 108.945 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.37 116.16 29.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.613 0.72 . . . . 55.21 111.528 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' LEU . 2.6 tt -91.01 125.88 35.93 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.916 -1.513 . . . . 54.12 106.916 172.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 tt -105.65 133.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.34 -0.985 . . . . 72.15 108.34 170.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD22 HG21 ' A' ' 36' ' ' ILE . 5.2 mp -107.13 113.56 27.08 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.071 -0.715 . . . . 70.51 109.071 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' C' ' 760' ' ' ALA . 4.6 mp -95.85 125.04 40.14 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.129 -1.434 . . . . 73.14 107.129 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' C' ' 764' ' ' ASN . 1.8 pp -74.77 175.11 8.28 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 111.67 0.248 . . . . 71.41 111.67 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 38.0 m -38.53 96.45 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.212 1.405 . . . . 72.1 112.608 174.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -84.65 -44.01 13.85 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.581 -1.266 . . . . 54.54 107.581 163.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.6 tpm_? . . . . . 0 C--O 1.258 1.51 0 CA-C-N 114.735 -1.12 . . . . 64.34 108.478 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLY . . . . . 0.483 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.476 1.331 0 N-CA-C 112.396 -0.282 . . . . 65.51 112.396 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -152.62 168.49 25.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.3 0.64 . . . . 64.31 110.654 -176.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.602 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 3.7 pm0 -119.28 125.41 49.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.825 -1.176 . . . . 71.2 107.825 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.25 174.5 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.187 0.595 . . . . 75.33 110.169 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 12' ' ' THR . 22.7 m-85 -114.92 143.82 44.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.757 -0.656 . . . . 53.51 109.568 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.46 106.71 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-O 121.876 0.846 . . . . 71.21 110.131 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.5 t0 -88.42 99.83 12.57 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.817 1.247 . . . . 74.4 109.097 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 9.7 t -103.77 138.7 40.01 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 123.476 0.71 . . . . 70.43 111.218 -173.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.494 HG23 HD13 ' C' ' 765' ' ' LEU . 1.8 p -108.51 108.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 114.576 -1.193 . . . . 71.43 108.44 169.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -142.13 163.14 33.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.809 0.844 . . . . 64.5 109.481 175.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -95.02 173.49 7.55 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.903 0.481 . . . . 55.34 109.866 170.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.5 114.13 4.03 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.653 -0.703 . . . . 61.54 109.457 167.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 4' ' ' PHE . 52.0 m -81.62 122.98 28.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.772 0.829 . . . . 64.23 110.351 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' B' ' 134' ' ' GLU . 15.0 mm -102.23 108.95 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.614 -0.884 . . . . 74.3 108.614 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.7 p -87.62 113.53 23.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 72.43 110.077 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.97 135.78 31.52 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 110.503 -0.184 . . . . 55.43 110.503 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.3 tt0 -79.79 141.79 35.94 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.992 -0.744 . . . . 73.01 108.992 173.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.98 167.46 26.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.05 0.94 . . . . 73.14 108.828 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -109.18 152.3 42.48 Favored Pre-proline 0 N--CA 1.477 0.919 0 N-CA-C 109.067 -0.716 . . . . 75.11 109.067 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.56 -34.41 75.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.179 1.919 . . . . 72.41 111.577 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.8 p -82.64 -1.63 51.58 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.353 1.061 . . . . 61.01 112.312 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -80.98 164.32 22.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 73.55 110.2 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.37 166.43 11.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.639 0.775 . . . . 74.11 110.313 170.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 154' ' ' ARG . 44.6 mm -64.66 -25.91 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.109 0.964 . . . . 74.01 110.395 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.19 -25.7 67.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.238 0.615 . . . . 62.44 111.027 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.91 -50.91 45.47 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 123.498 0.719 . . . . 71.05 109.929 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.08 -46.14 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.519 0.728 . . . . 74.32 109.707 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -52.08 -54.81 25.75 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.481 -1.69 . . . . 73.21 111.338 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.02 65.16 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.78 -0.645 . . . . 61.33 111.585 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -74.92 -46.34 36.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 62.11 110.984 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.638 HG21 HG11 ' A' ' 5' ' ' VAL . 26.9 pt -69.24 -29.68 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 120.874 0.369 . . . . 63.11 110.344 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -73.83 -36.46 64.94 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.562 0.745 . . . . 70.22 111.315 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.14 -49.4 57.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.464 0.706 . . . . 73.3 110.725 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -75.26 -60.99 2.05 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.503 -1.226 . . . . 43.01 110.976 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' B' ' 113' ' ' ILE . 38.7 mm-40 -102.25 -9.8 20.1 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.876 -0.602 . . . . 53.45 112.346 -166.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.62 16.77 80.44 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 119.256 -0.747 . . . . 74.43 113.56 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.58 HD12 ' HB ' ' B' ' 130' ' ' ILE . 71.1 mt -62.6 115.99 20.44 Favored Pre-proline 0 C--N 1.361 1.07 0 C-N-CA 123.032 0.533 . . . . 62.41 109.69 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 73.0 Cg_endo -80.72 113.76 2.86 Favored 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.456 2.104 . . . . 61.23 110.229 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.51 -38.96 30.34 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.85 2.367 . . . . 51.24 113.661 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.47 -34.02 75.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.325 -0.852 . . . . 75.22 110.705 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.532 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 14.8 tm0? -89.78 -24.15 21.56 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.103 0.961 . . . . 74.31 111.098 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -132.87 103.8 6.26 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.209 1.004 . . . . 73.44 108.751 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -84.7 130.8 34.65 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.533 0.733 . . . . 74.3 111.38 -174.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.78 134.67 35.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.516 0.726 . . . . 63.11 110.249 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' B' ' 168' ' ' ILE . 22.1 t70 -132.03 145.49 51.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.142 0.977 . . . . 74.34 109.183 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -130.76 103.62 6.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.882 0.873 . . . . 65.14 109.778 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.41 29.44 19.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.252 1.021 . . . . 75.51 112.557 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.29 -8.37 69.47 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 116.133 -0.485 . . . . 72.44 113.41 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -106.62 115.62 30.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.869 0.868 . . . . 73.24 109.403 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.707 ' HG2' ' HD3' ' B' ' 174' ' ' ARG . 16.1 mt-30 -67.73 149.03 50.49 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.361 0.664 . . . . 62.35 110.425 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 65.5 mt -92.34 122.12 34.49 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.793 -0.639 . . . . 71.0 109.63 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -70.32 126.84 30.81 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.241 -1.392 . . . . 71.24 107.241 171.231 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.04 -38.87 73.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.755 1.222 . . . . 75.44 113.498 -166.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -104.64 21.87 35.52 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.8 -0.444 . . . . 75.03 113.218 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 17.4 ttm180 -96.02 168.88 10.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.563 0.745 . . . . 75.22 109.268 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 m -102.78 153.76 19.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.926 0.785 . . . . 73.34 110.947 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.43 HD12 HG21 ' B' ' 161' ' ' ILE . 3.3 mm? -65.41 -40.61 93.6 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.522 0.729 . . . . 74.24 110.717 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 59.6 m -57.28 -35.62 70.03 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.157 0.583 . . . . 75.13 112.07 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.76 -33.39 66.55 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.056 0.848 . . . . 41.44 111.074 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.92 -9.95 27.39 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 119.103 -0.475 . . . . 64.51 111.002 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 60.24 54.09 4.15 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.465 1.126 . . . . 73.22 109.727 -174.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.43 HG21 HD12 ' B' ' 156' ' ' LEU . 3.7 mm -72.22 130.98 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 114.118 -1.401 . . . . 75.13 110.057 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.01 169.24 9.82 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 123.502 0.721 . . . . 73.02 110.831 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.53 143.33 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 115.362 -0.835 . . . . 55.12 108.785 171.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER 53.47 28.97 8.23 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.965 1.706 . . . . 74.34 114.118 -175.211 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 3' ' ' ILE . 67.5 m -64.21 111.47 2.6 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 110.24 -0.282 . . . . 65.25 110.24 162.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 166' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . . . -86.97 143.16 27.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.681 0.792 . . . . 42.11 110.53 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.4 mt -132.76 143.14 49.39 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.346 1.058 . . . . 64.31 109.91 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.6 tt -111.32 121.16 63.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.404 0.682 . . . . 74.25 109.884 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 5' ' ' VAL . 10.2 mp -87.59 119.56 28.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.541 -0.754 . . . . 73.54 110.52 171.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.534 ' HB2' ' HG2' ' B' ' 174' ' ' ARG . 5.8 mp -102.37 164.87 11.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.468 1.107 . . . . 75.11 108.141 169.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.449 ' HG ' HG22 ' B' ' 172' ' ' THR . 28.9 tp -65.94 163.58 16.84 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 122.846 0.458 . . . . 72.02 110.614 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.1 t -40.73 138.12 1.05 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.436 1.494 . . . . 71.03 112.644 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 61.53 93.65 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.605 1.162 . . . . 73.42 109.18 -169.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.707 ' HD3' ' HG2' ' B' ' 149' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 118.281 -0.866 . . . . 74.11 108.861 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 111.889 -0.485 . . . . 35.24 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 40.1 t -77.54 85.5 3.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.902 -0.777 . . . . 54.31 108.902 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.76 85.59 0.83 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.858 0.863 . . . . 74.22 109.518 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 23.0 t -169.05 37.92 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 122.751 0.42 . . . . 54.35 112.084 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.32 145.49 43.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.88 -0.513 . . . . 60.33 110.659 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 12.7 m -56.51 -43.86 80.17 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.999 0.92 . . . . 71.22 112.182 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 87.63 -79.86 1.72 Allowed Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.78 -0.646 . . . . 61.45 111.515 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 30.5 mmt -70.0 95.47 0.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.412 0.625 . . . . 75.43 110.069 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 741' ' ' ALA . . . . . 0.816 ' HA ' ' HB2' ' C' ' 745' ' ' ASP . . . -90.43 63.34 5.57 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.027 -0.988 . . . . 71.34 110.864 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.4 m -143.65 80.96 1.68 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.08 -0.963 . . . . 54.34 110.388 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 78.63 -50.31 0.46 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 126.015 1.726 . . . . 74.32 112.281 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.31 66.78 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.692 1.197 . . . . 61.43 111.569 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.816 ' HB2' ' HA ' ' C' ' 741' ' ' ALA . 26.8 t70 -53.7 -59.69 4.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.081 1.352 . . . . 55.24 112.416 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 11.1 pt20 -62.56 -37.81 87.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 124.285 0.991 . . . . 71.2 111.61 -175.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.93 -43.14 75.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.091 0.957 . . . . 71.4 110.838 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -55.56 -46.84 77.1 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.985 -1.462 . . . . 73.24 111.032 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -68.86 -31.16 69.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.585 0.553 . . . . 72.34 110.134 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 750' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 38.4 mm-40 -60.89 -60.11 4.32 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 108.291 -1.003 . . . . 71.12 108.291 172.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.11 -38.74 53.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.863 1.265 . . . . 71.51 111.421 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 6.8 tt -73.49 -33.45 64.82 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.558 0.743 . . . . 51.14 110.377 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -43.91 83.65 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.013 -0.736 . . . . 64.55 109.013 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 73.9 m-85 -57.06 -44.76 83.35 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.455 0.702 . . . . 71.25 110.166 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.559 ' O ' ' HG3' ' C' ' 759' ' ' GLN . 31.3 t-105 -58.98 -45.75 89.83 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.459 -1.246 . . . . 74.55 110.111 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 97.2 m -59.31 -36.17 75.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.883 0.873 . . . . 71.31 110.716 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.56 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 38.1 m-85 -62.46 -54.91 33.08 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 110.104 -0.332 . . . . 73.33 110.104 173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.486 HG13 ' O ' ' C' ' 754' ' ' PHE . 49.9 mt -61.37 -49.26 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.139 0.899 . . . . 73.5 112.098 -173.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 759' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' C' ' 755' ' ' TRP . 0.0 OUTLIER -80.93 -32.45 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.084 -0.96 . . . . 74.44 112.374 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.566 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -74.68 -25.28 59.06 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 119.316 0.962 . . . . 63.23 111.549 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 19.5 ptp -73.64 -54.66 7.63 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.168 -1.049 . . . . 74.32 108.168 166.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' C' ' 816' ' ' ARG . 20.5 mt -62.35 -10.96 12.8 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.342 1.457 . . . . 73.21 113.698 -178.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 61.4 m -52.71 -28.04 20.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.536 0.735 . . . . 72.12 110.483 169.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.405 ' HB3' HD21 ' A' ' 71' ' ' LEU . 6.9 t30 -142.79 -21.49 0.65 Allowed 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.211 1.004 . . . . 71.4 111.613 -175.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.594 HD23 HD11 ' C' ' 768' ' ' LEU . 16.2 tp -96.25 41.04 1.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.851 1.26 . . . . 74.1 109.426 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.13 80.72 0.69 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.934 0.894 . . . . 63.32 112.556 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 28.5 p 169.2 72.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.474 1.51 . . . . 64.32 109.79 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 768' ' ' LEU . . . . . 0.594 HD11 HD23 ' C' ' 765' ' ' LEU . 86.9 mt -126.61 113.55 16.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.409 0.684 . . . . 64.23 111.371 -174.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.7 t -67.55 153.29 44.02 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 115.369 -0.832 . . . . 73.14 109.728 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.61 HD13 HD11 ' C' ' 773' ' ' ILE . 0.1 OUTLIER -52.21 -41.74 62.96 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.326 1.016 . . . . 74.03 110.074 174.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.39 -56.51 14.45 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.99 0.916 . . . . 45.52 111.155 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -58.15 -55.01 40.54 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 114.007 -1.451 . . . . 72.12 111.587 -173.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.61 HD11 HD13 ' C' ' 770' ' ' LEU . 2.8 pp -68.62 -23.69 28.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-N 115.995 -0.548 . . . . 64.21 111.034 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.402 ' HA ' ' CD1' ' C' ' 795' ' ' LEU . 68.3 t80 -65.04 -44.64 88.39 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.19 0.45 . . . . 65.3 110.061 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -61.4 -43.45 98.85 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.218 0.324 . . . . 75.42 110.686 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 92.5 mmm -56.42 -64.22 0.94 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.805 0.69 . . . . 72.33 111.136 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' C' ' 790' ' ' ILE . 0.7 OUTLIER -48.07 -52.41 20.36 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.554 1.542 . . . . 53.41 111.389 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -59.73 -38.87 82.89 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.654 0.781 . . . . 73.44 111.976 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 3.6 ttp -58.51 -45.75 88.13 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.964 0.79 . . . . 62.02 110.061 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 780' ' ' PHE . . . . . 0.459 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 33.3 m-85 -66.14 -35.29 80.1 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.952 -0.567 . . . . 72.44 112.156 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.549 HG21 HG12 ' C' ' 790' ' ' ILE . 2.1 t -77.45 -29.0 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-N 118.096 0.407 . . . . 65.05 111.418 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 -30.55 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.914 -0.491 . . . . 64.12 110.344 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.6 p -73.19 -25.97 60.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.756 0.312 . . . . 72.13 111.015 173.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -133.4 91.41 0.26 Allowed Glycine 0 C--N 1.341 0.829 0 N-CA-C 109.958 -1.257 . . . . 75.1 109.958 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.65 13.63 0.21 Allowed 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.982 3.121 . . . . 72.22 115.28 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.93 -35.22 14.48 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.022 1.329 . . . . 63.22 113.727 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 67.6 mt -103.88 -17.54 14.99 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.403 0.681 . . . . 74.31 111.595 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.1 71.11 0.59 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.564 1.146 . . . . 75.3 111.87 -171.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 54.64 99.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.639 1.576 . . . . 64.45 113.603 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.0 pt -65.41 148.93 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.298 0.571 . . . . 74.11 110.452 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -102.46 170.71 7.89 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 115.554 -0.748 . . . . 72.32 110.107 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.32 -40.01 61.34 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 124.905 1.282 . . . . 75.23 111.826 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -32.22 59.23 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 118.862 -0.589 . . . . 73.54 111.97 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.91 -61.08 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.232 -0.655 . . . . 73.23 109.232 169.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -65.19 -50.45 65.86 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 114.224 -1.353 . . . . 73.41 111.752 -172.457 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.69 -48.56 79.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.261 0.624 . . . . 70.43 110.262 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.6 85.69 Favored Glycine 0 C--N 1.355 1.629 0 O-C-N 124.111 0.882 . . . . 60.23 113.244 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.4 t80 -64.94 -55.02 21.68 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.959 0.903 . . . . 64.44 109.64 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.48 HD11 HD11 ' C' ' 773' ' ' ILE . 74.7 mt -59.67 -43.51 93.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.549 1.14 . . . . 63.35 111.362 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.23 -47.64 80.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.611 1.194 . . . . 74.52 109.71 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -50.32 71.01 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 124.471 1.107 . . . . 72.33 110.948 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.3 mmtt -54.25 -39.71 67.07 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.787 0.662 . . . . 72.33 112.787 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 63.4 t -69.29 -42.76 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.69 0.796 . . . . 64.24 110.298 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -75.74 -9.39 58.55 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.767 0.827 . . . . 74.41 111.841 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.45 -1.6 35.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.947 0.899 . . . . 73.32 111.484 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.99 13.38 9.03 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.254 1.422 . . . . 74.44 111.943 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -92.41 -12.67 31.59 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.741 1.216 . . . . 63.33 110.562 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -133.61 139.73 46.69 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 106.919 -1.512 . . . . 71.43 106.919 172.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.85 116.17 47.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.766 -0.827 . . . . 61.12 108.766 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -91.95 106.91 18.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.646 -1.242 . . . . 74.13 107.646 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 14.5 t -76.26 -149.73 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.973 0.909 . . . . 64.44 109.539 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.41 74.5 1.9 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.135 0.493 . . . . 72.35 110.131 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.73 76.15 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 115.314 -0.857 . . . . 44.45 113.9 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.51 136.49 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 117.032 0.416 . . . . 34.12 110.512 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.6 139.79 30.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.779 0.832 . . . . 70.32 111.413 -174.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 816' ' ' ARG . . . . . 0.713 ' HA ' HD22 ' C' ' 762' ' ' LEU . 4.9 ppt_? -159.0 146.87 17.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.516 -0.92 . . . . 65.3 108.516 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 18.1 mt -76.57 150.79 82.43 Favored Pre-proline 0 N--CA 1.498 1.93 0 CA-C-N 118.963 0.802 . . . . 64.31 113.099 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -54.75 137.8 75.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.933 2.422 . . . . 71.2 111.43 161.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -85.88 2.1 47.25 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.021 0.529 . . . . 72.13 111.462 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -96.46 20.09 11.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.15 0.98 . . . . 73.31 110.142 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.44 -62.46 1.56 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.237 0.615 . . . . 73.32 110.116 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.254 1.293 0 C-N-CA 124.95 1.3 . . . . 73.04 111.566 -178.206 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.472 -0.251 . . . . 63.41 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.17 149.58 41.48 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.974 -0.75 . . . . 71.33 108.974 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 4.6 pm0 -98.11 148.9 23.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.421 0.688 . . . . 74.55 109.357 -177.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 pt -131.97 155.59 41.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-O 120.913 0.387 . . . . 63.41 110.365 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -107.75 121.66 45.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.043 -1.095 . . . . 74.31 108.043 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -108.21 93.15 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.094 -1.076 . . . . 72.23 108.094 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.27 94.85 2.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.688 -1.142 . . . . 74.02 109.379 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -93.95 126.23 39.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.064 0.459 . . . . 74.31 109.976 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.83 127.79 72.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 121.939 0.876 . . . . 62.33 109.807 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HB2' HE21 ' B' ' 109' ' ' GLN . 75.0 mt-30 -97.72 85.61 3.61 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.042 -1.466 . . . . 62.33 107.042 171.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' B' ' 107' ' ' THR . 6.8 t-105 -105.56 104.98 14.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 106.632 -1.618 . . . . 74.53 106.632 173.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' B' ' 171' ' ' LEU . 16.8 tppt? -158.38 128.09 5.86 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.643 -0.708 . . . . 73.31 111.445 -163.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' B' ' 104' ' ' PHE . 8.3 m -84.14 100.52 11.2 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.749 -0.834 . . . . 73.35 108.749 173.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 5.8 mt -92.36 172.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 125.051 1.34 . . . . 74.42 108.623 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -119.32 127.42 53.18 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.342 0.657 . . . . 71.11 109.355 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.35 170.09 16.47 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.834 -0.802 . . . . 72.12 108.834 170.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -116.47 136.87 52.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.756 0.313 . . . . 73.35 110.306 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.59 167.36 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.219 1.008 . . . . 72.4 109.501 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.2 147.94 37.33 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 108.913 -0.773 . . . . 63.22 108.913 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.55 -34.18 65.19 Favored 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 122.738 2.292 . . . . 75.12 111.978 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 m -83.86 0.4 47.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.986 0.914 . . . . 63.42 112.095 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.76 156.28 26.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.113 0.565 . . . . 71.43 110.128 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -88.32 163.24 16.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.368 0.667 . . . . 71.35 110.279 170.283 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 50' ' ' LEU . 41.3 mm -67.76 -24.93 31.5 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 C-N-CA 123.971 0.908 . . . . 73.42 111.065 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 11.1 pt-20 -57.03 -30.61 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.761 -0.654 . . . . 74.11 110.507 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.95 -55.45 25.75 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.893 0.477 . . . . 75.34 109.888 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.56 -36.19 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 123.337 0.398 . . . . 65.12 111.093 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -40.11 85.39 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 110.136 -0.32 . . . . 72.42 110.136 173.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.99 65.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.739 0.416 . . . . 75.42 111.413 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.1 mmpt? -78.03 -46.44 20.94 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 119.1 -0.476 . . . . 72.3 110.397 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' HB ' HD12 ' A' ' 36' ' ' ILE . 29.8 pt -66.54 -26.87 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.358 0.599 . . . . 73.25 110.714 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -71.24 -43.42 67.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.185 0.994 . . . . 71.11 111.321 171.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.3 -39.4 89.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.08 0.952 . . . . 65.0 110.855 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.38 -70.84 0.62 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 114.346 -1.297 . . . . 51.02 110.329 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.4 -27.95 31.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.14 0.576 . . . . 74.32 111.617 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.86 26.96 20.81 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.19 0.306 . . . . 75.32 112.967 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' HB ' ' A' ' 30' ' ' ILE . 68.5 mt -76.24 109.79 9.41 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.158 0.983 . . . . 62.1 109.359 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 6.3 Cg_exo -74.45 135.56 20.38 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.872 2.381 . . . . 72.13 111.951 -174.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -56.31 -44.07 49.82 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 124.382 3.388 . . . . 71.44 113.542 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.52 -4.05 37.6 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.298 -0.865 . . . . 55.21 112.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -124.88 17.98 8.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.88 0.872 . . . . 74.51 112.03 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' OE1' HD21 ' A' ' 43' ' ' LEU . 11.0 pt20 -131.63 158.99 39.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.244 0.618 . . . . 62.44 111.675 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -142.79 127.68 18.33 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.534 -1.284 . . . . 60.11 107.534 169.192 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' OE1' ' A' ' 41' ' ' GLN . 50.4 mt -97.53 124.26 41.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.781 0.833 . . . . 55.23 110.357 -172.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.6 HG21 ' CE1' ' C' ' 757' ' ' TYR . 34.5 mm -118.86 107.95 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.028 -0.73 . . . . 73.33 109.028 172.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -110.43 104.26 13.0 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.262 -1.014 . . . . 64.13 108.262 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.81 30.96 16.71 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.03 0.832 . . . . 65.41 112.017 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 97.2 -9.55 65.28 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-N 115.304 -0.862 . . . . 73.31 114.572 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.57 147.88 23.69 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 117.66 0.73 . . . . 63.2 110.216 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.868 HE22 ' N ' ' C' ' 733' ' ' GLY . 35.7 mt-30 -104.74 100.01 9.65 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.538 1.135 . . . . 62.55 108.183 176.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 23' ' ' ILE . 7.8 mp -73.38 112.05 9.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.248 -1.342 . . . . 53.21 111.846 -169.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.79 127.72 33.12 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.856 1.348 . . . . 54.04 109.569 171.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.43 -38.86 69.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.468 1.107 . . . . 61.12 112.039 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.76 7.98 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.267 -0.879 . . . . 74.11 113.473 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.43 177.46 4.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.899 0.88 . . . . 71.25 109.02 172.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -108.12 155.18 20.7 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.759 0.824 . . . . 64.44 109.646 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.48 -48.65 80.83 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.321 0.648 . . . . 60.53 110.058 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.0 t -63.15 -24.56 67.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.312 -0.858 . . . . 53.53 112.517 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.04 -37.46 74.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.18 0.592 . . . . 64.3 110.874 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.6 m-85 -96.1 -9.18 31.42 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.011 -0.366 . . . . 72.24 110.011 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.06 64.54 1.49 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.371 1.044 . . . . 71.34 109.753 -168.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 59' ' ' TYR . 1.7 mp -61.92 108.84 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 107.496 -1.298 . . . . 74.23 107.496 168.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 18.4 pt20 -85.3 164.5 17.97 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.474 -0.784 . . . . 70.24 110.039 176.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.611 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -68.47 144.62 54.59 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.696 -0.684 . . . . 73.31 111.301 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 56.26 25.78 9.69 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 125.013 1.445 . . . . 74.41 112.351 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.515 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 11.2 t -80.47 147.29 30.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.55 -0.75 . . . . 71.51 109.306 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.45 139.43 30.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.804 0.811 . . . . 60.03 111.024 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG12 ' B' ' 105' ' ' VAL . 50.6 tp -133.02 139.74 47.37 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.831 1.653 . . . . 60.14 106.869 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' SD ' ' C' ' 776' ' ' MET . 3.0 tt -118.73 135.17 60.01 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 N-CA-C 108.095 -1.076 . . . . 75.02 108.095 170.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 HG22 ' B' ' 107' ' ' THR . 52.8 mt -107.23 103.38 12.75 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.869 -1.059 . . . . 70.0 108.234 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.656 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.4 mp -96.91 117.94 32.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.172 -1.047 . . . . 63.45 108.172 -173.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' HG ' HG13 ' B' ' 108' ' ' VAL . 71.4 mt -69.35 171.97 7.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.442 0.297 . . . . 53.22 110.436 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -40.98 109.81 0.13 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.64 1.176 . . . . 43.52 112.692 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.4 pp -67.02 -44.11 81.13 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.656 -0.498 . . . . 65.32 109.656 168.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' N ' HD12 ' A' ' 73' ' ' LEU . 75.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.018 1.727 . . . . 63.31 107.816 167.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.924 -0.47 . . . . 44.31 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.0 150.95 46.43 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.144 0.577 . . . . 73.34 110.235 -178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -88.98 160.52 17.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.629 -0.714 . . . . 64.02 109.122 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.9 pt -145.14 151.16 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.585 0.754 . . . . 53.21 109.894 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 18.3 m-85 -108.73 115.04 29.33 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 108.417 -0.957 . . . . 74.31 108.417 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 67' ' ' LEU . 24.6 m -113.37 123.57 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 120.823 0.344 . . . . 55.33 110.868 -168.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.23 99.03 12.13 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.648 -1.241 . . . . 61.12 107.648 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.586 HG22 HD12 ' A' ' 69' ' ' LEU . 82.8 p -93.24 134.35 35.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.539 1.535 . . . . 73.04 110.39 -172.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.521 HG13 ' HG ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -118.18 117.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.511 1.124 . . . . 55.0 109.78 175.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.463 HE21 ' HB2' ' A' ' 9' ' ' GLN . 2.5 mp0 -131.85 86.42 2.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.511 0.724 . . . . 54.14 109.647 172.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -88.25 134.99 33.66 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.736 -0.838 . . . . 63.32 108.736 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -147.84 133.95 19.33 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.248 1.419 . . . . 75.11 108.558 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 26.9 m -93.84 117.66 30.39 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.129 -0.693 . . . . 71.13 109.129 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 31.0 mt -92.39 154.36 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 107.57 -1.27 . . . . 40.23 107.57 172.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 89.5 m -137.93 125.39 21.99 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.584 -1.265 . . . . 75.54 107.584 174.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -138.02 170.33 16.24 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.427 -0.953 . . . . 71.01 108.427 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 30.5 tt0 -118.64 143.1 47.05 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.808 -0.812 . . . . 63.02 108.808 171.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.24 165.75 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 123.159 0.584 . . . . 75.34 109.876 -174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 11.0 mm-40 -107.87 141.92 24.14 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 124.173 0.989 . . . . 75.02 110.548 -175.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 118' ' ' GLU . 34.3 Cg_exo -61.1 -40.01 54.81 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.462 2.775 . . . . 41.01 112.456 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 60.7 m -84.58 -4.47 59.0 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.359 -0.837 . . . . 71.31 111.361 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.434 ' HB3' ' ND2' ' B' ' 125' ' ' ASN . 0.6 OUTLIER -92.26 167.26 12.14 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.133 0.573 . . . . 65.12 109.897 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.5 p -97.17 160.67 14.2 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.46 1.104 . . . . 55.3 111.92 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.483 HD13 HD22 ' B' ' 156' ' ' LEU . 24.7 mm -65.97 -22.06 29.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.854 -1.521 . . . . 75.12 110.847 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.29 -21.06 59.11 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.245 1.018 . . . . 71.45 112.232 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' B' ' 121' ' ' ASP . 76.7 m-20 -64.29 -53.5 48.01 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 123.675 0.79 . . . . 72.3 109.512 171.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.64 -40.92 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.9 0.88 . . . . 72.25 109.95 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.56 -56.09 22.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 114.99 -1.005 . . . . 73.52 110.614 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.99 72.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.14 -0.936 . . . . 64.45 111.142 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.508 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.5 mmpt? -67.97 -54.4 18.85 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.55 0.531 . . . . 73.05 110.512 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.1 pt -67.37 -26.51 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 118.315 0.507 . . . . 73.33 111.131 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 9.8 tt0 -77.15 -26.65 53.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.853 0.861 . . . . 54.12 111.125 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -80.0 -46.35 16.77 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.371 0.605 . . . . 54.11 110.288 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.57 -67.0 0.63 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.745 -1.116 . . . . 71.54 110.299 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.51 -4.67 28.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.038 0.535 . . . . 74.43 111.191 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 68.76 37.1 83.85 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.024 -0.32 . . . . 73.01 113.307 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.93 105.19 7.43 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.051 0.94 . . . . 70.43 109.443 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.89 148.23 76.13 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.097 1.865 . . . . 72.15 111.674 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -44.98 -39.49 14.45 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 124.974 3.783 . . . . 72.53 114.684 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.91 -43.11 89.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.649 -1.16 . . . . 74.52 111.221 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.81 -9.41 58.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.706 0.802 . . . . 74.24 111.492 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -77.49 131.69 38.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.379 1.072 . . . . 74.53 109.932 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.492 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 11.5 ttt85 -140.44 78.42 1.65 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.611 -0.885 . . . . 74.5 108.611 166.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.404 ' H ' HD12 ' B' ' 143' ' ' LEU . 0.2 OUTLIER -73.71 107.14 5.78 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.489 -0.56 . . . . 74.4 109.489 168.574 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.45 133.17 44.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.416 1.086 . . . . 64.13 108.572 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.462 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 35.5 t80 -132.43 108.19 8.99 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.628 1.171 . . . . 72.24 107.924 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.01 21.97 11.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.754 0.821 . . . . 71.33 112.301 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.73 53.53 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 119.584 -0.565 . . . . 75.13 114.052 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 21.0 ptmt -135.44 127.89 30.48 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 117.595 0.697 . . . . 73.04 109.697 176.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.85 154.02 41.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.589 -0.523 . . . . 73.22 109.589 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.5 HD21 HD23 ' B' ' 167' ' ' LEU . 0.8 OUTLIER -98.58 120.67 39.4 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.451 -0.944 . . . . 75.43 108.451 175.146 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 3.4 mp0 -67.25 130.64 43.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 108.045 -1.095 . . . . 74.41 108.045 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.55 -33.97 73.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.387 0.675 . . . . 74.15 111.486 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.02 0.63 82.66 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.829 -0.623 . . . . 31.22 113.637 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' B' ' 154' ' ' ARG . 1.3 tpm_? -95.31 168.53 10.67 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.556 0.743 . . . . 73.41 109.973 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.9 m -97.77 155.12 17.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.227 0.611 . . . . 73.53 109.931 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 123' ' ' ILE . 3.9 mm? -66.06 -46.42 77.84 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.39 0.676 . . . . 72.33 110.605 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 -25.33 67.86 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.823 -0.626 . . . . 43.22 112.054 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.19 -33.16 65.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.017 0.927 . . . . 72.24 110.557 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.405 ' HB2' HG12 ' B' ' 161' ' ' ILE . 88.4 m-85 -97.57 -9.25 27.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.492 0.717 . . . . 64.34 111.91 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 61.1 t30 60.94 49.99 5.48 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.932 0.872 . . . . 50.1 109.836 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' B' ' 159' ' ' TYR . 4.1 mm -65.91 141.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-N 114.932 -1.031 . . . . 73.22 110.065 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.88 164.74 20.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.22 0.533 . . . . 74.42 111.174 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -58.42 141.34 51.81 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 115.455 -0.793 . . . . 74.25 109.59 174.018 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 61.52 11.02 3.55 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.676 1.99 . . . . 73.35 113.863 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.2 p -60.87 130.55 47.01 Favored 'General case' 0 C--N 1.369 1.426 0 CA-C-N 119.138 0.881 . . . . 50.45 110.282 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.02 128.05 45.08 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.362 0.665 . . . . 63.12 110.682 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.5 HD23 HD21 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -127.97 130.78 48.94 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 106.606 -1.628 . . . . 74.34 106.606 -179.293 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.33 116.06 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.874 -0.787 . . . . 72.14 108.874 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.9 tp -87.3 105.67 17.4 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.576 -0.898 . . . . 73.35 108.576 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.423 HD23 ' HE ' ' B' ' 142' ' ' ARG . 0.7 OUTLIER -93.21 154.62 17.93 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.255 -1.387 . . . . 63.54 107.255 173.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 11' ' ' LYS . 39.3 tp -70.48 133.92 47.26 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 106.388 -1.708 . . . . 75.05 106.388 162.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 9.7 t -34.85 93.34 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 126.016 1.726 . . . . 71.14 114.403 -163.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 46.83 1.05 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.427 -1.26 . . . . 64.04 108.211 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 174' ' ' ARG . . . . . 0.407 ' HA ' HH11 ' B' ' 142' ' ' ARG . 40.4 mtt180 . . . . . 0 CA--C 1.552 1.046 0 CA-C-N 115.276 -0.875 . . . . 62.02 109.673 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 733' ' ' GLY . . . . . 0.868 ' N ' HE22 ' A' ' 49' ' ' GLN . . . . . . . . 0 N--CA 1.477 1.419 0 CA-C-O 120.051 -0.305 . . . . 74.52 112.404 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 15.9 m -76.3 -17.35 59.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.726 0.811 . . . . 64.12 111.587 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.97 -57.4 12.27 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 123.585 0.754 . . . . 72.15 110.461 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 21.8 t 74.01 -40.36 0.45 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.441 1.496 . . . . 71.14 112.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.71 142.64 58.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.852 1.261 . . . . 74.4 111.085 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 56.3 m -146.81 32.45 0.94 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.359 1.063 . . . . 65.11 108.821 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -66.47 113.9 6.06 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.133 -0.94 . . . . 55.1 113.578 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 7.1 mmt 64.99 -174.14 0.18 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.738 1.215 . . . . 52.43 111.748 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 59.93 27.94 17.37 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.259 1.024 . . . . 63.21 112.236 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 742' ' ' SER . . . . . 0.547 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 19.0 m -56.43 -24.77 47.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.281 1.432 . . . . 42.1 114.371 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -71.32 -47.66 55.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.954 0.502 . . . . 65.11 110.716 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -82.71 -19.25 38.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.996 -0.547 . . . . 43.05 110.796 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' C' ' 742' ' ' SER . 23.2 t70 -76.47 -44.03 37.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.447 0.699 . . . . 74.4 110.807 -176.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 26.7 pt20 -55.22 -51.78 65.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.605 0.566 . . . . 61.01 110.629 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' C' ' 746' ' ' GLN . 0.0 OUTLIER -69.98 -37.92 75.89 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 116.191 -0.458 . . . . 72.13 111.219 -178.311 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.24 -58.33 8.97 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 65.45 111.389 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -66.27 -43.97 84.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.621 -0.718 . . . . 71.54 111.05 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -47.37 81.56 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.833 0.708 . . . . 63.41 111.451 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.01 -39.02 87.0 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 118.325 0.511 . . . . 62.04 111.114 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -40.69 83.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.759 -0.83 . . . . 65.31 108.759 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.94 -40.7 96.41 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.862 1.265 . . . . 61.32 110.821 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -67.27 -36.93 82.59 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.621 -0.718 . . . . 75.14 109.74 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.507 ' CZ2' ' HG2' ' C' ' 807' ' ' GLN . 30.1 t-105 -74.75 -29.69 61.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.088 -0.96 . . . . 64.42 110.548 176.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 96.9 m -62.19 -36.52 82.14 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.992 -0.744 . . . . 61.52 108.992 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 44' ' ' ILE . 16.5 m-30 -62.6 -67.47 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 116.008 -0.542 . . . . 74.13 110.396 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.504 HD11 HD22 ' C' ' 777' ' ' LEU . 18.9 mt -62.54 -36.24 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 124.181 0.925 . . . . 73.24 111.675 -168.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.33 -54.72 11.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.417 -0.356 . . . . 65.13 110.296 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.535 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -67.01 -29.13 68.87 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.325 0.491 . . . . 54.04 112.325 -172.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.606 ' HG3' HD12 ' C' ' 762' ' ' LEU . 27.5 ptm -78.76 -56.16 4.62 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 118.741 -0.647 . . . . 52.44 110.017 174.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.712 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 9.1 mp -68.66 -18.14 64.22 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.41 0.892 . . . . 75.51 113.41 -172.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.593 HG21 ' HA ' ' A' ' 73' ' ' LEU . 14.3 t -64.16 -25.35 68.04 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.609 0.64 . . . . 70.35 110.891 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -100.02 -44.01 6.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.087 0.955 . . . . 72.22 108.946 171.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.71 58.43 1.67 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.712 1.605 . . . . 74.0 111.062 -171.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.87 60.86 5.6 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.104 0.478 . . . . 74.12 111.04 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 41.0 p -179.25 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.63 1.172 . . . . 74.05 110.576 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.33 127.41 45.49 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.504 0.722 . . . . 65.11 110.374 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.5 m -63.15 141.7 58.67 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.629 0.772 . . . . 71.54 109.346 172.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 18.5 tp -46.01 -37.11 6.23 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 124.615 1.197 . . . . 71.33 112.23 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.61 -43.84 36.57 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.181 1.392 . . . . 73.12 112.876 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.611 HH11 ' HB3' ' C' ' 772' ' ' ARG . 3.3 mtp-105 -63.01 -62.8 1.47 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.662 -0.699 . . . . 70.44 111.016 -176.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' C' ' 777' ' ' LEU . 0.1 OUTLIER -71.05 -23.02 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 115.211 -0.904 . . . . 72.01 110.09 -174.326 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -62.38 -61.95 2.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.211 0.604 . . . . 72.12 109.637 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.53 -39.01 78.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.668 0.787 . . . . 74.14 111.228 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 776' ' ' MET . . . . . 0.631 ' SD ' HD12 ' A' ' 68' ' ' ILE . 47.5 ttm -65.86 -62.27 1.6 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.649 1.18 . . . . 75.43 111.625 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' C' ' 795' ' ' LEU . 4.8 tp -56.45 -43.02 79.11 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.694 0.798 . . . . 64.41 111.011 -178.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' C' ' 781' ' ' VAL . 69.2 ttt180 -71.34 -32.37 68.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.967 -1.015 . . . . 72.41 111.08 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 47.7 ttp -56.29 -49.74 73.4 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.949 -0.759 . . . . 73.0 108.949 170.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -61.18 -39.43 90.12 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.753 0.658 . . . . 71.23 112.484 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.835 HG11 HG12 ' C' ' 790' ' ' ILE . 2.9 p -72.16 -30.48 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 111.948 0.351 . . . . 71.55 111.948 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.7 -21.82 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 112.147 0.425 . . . . 65.45 112.147 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.0 p -68.94 -24.56 64.29 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 111.899 0.333 . . . . 72.33 111.899 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.34 -178.52 15.57 Favored Glycine 0 C--O 1.24 0.5 0 N-CA-C 110.318 -1.113 . . . . 52.14 110.318 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.29 -43.96 37.17 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.453 2.102 . . . . 61.42 110.756 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 38.01 -86.11 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.637 1.975 . . . . 62.51 114.697 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 72.8 mt -133.23 21.72 4.06 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.56 1.144 . . . . 73.43 110.679 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.28 50.64 3.75 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.858 1.263 . . . . 60.41 111.318 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 42.19 99.01 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.605 1.962 . . . . 73.12 113.681 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.835 HG12 HG11 ' C' ' 781' ' ' VAL . 18.3 pt -76.71 174.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.33 0.652 . . . . 74.22 112.139 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -121.97 178.48 4.87 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.776 0.83 . . . . 64.13 110.157 -177.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.45 -53.13 2.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.778 1.631 . . . . 52.22 112.23 171.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -35.91 62.52 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.804 0.842 . . . . 72.04 112.463 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 794' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' C' ' 790' ' ' ILE . 4.5 tp10 -85.75 -41.1 15.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.543 0.737 . . . . 73.34 110.736 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' C' ' 777' ' ' LEU . 0.2 OUTLIER -64.63 -55.17 21.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.303 1.041 . . . . 53.01 109.081 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -50.61 -56.62 10.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 113.997 -1.456 . . . . 73.14 109.294 170.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -48.24 -41.42 23.44 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 124.398 1.061 . . . . 62.31 114.077 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 45.5 t80 -66.05 -57.48 7.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.135 0.974 . . . . 63.02 111.171 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.82 -37.19 73.2 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.857 -1.065 . . . . 73.51 109.968 -170.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -70.53 -32.29 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.962 -0.563 . . . . 75.54 109.626 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -58.13 -48.09 81.29 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 109.668 -0.493 . . . . 75.32 109.668 170.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -54.64 -41.34 69.96 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 123.527 0.517 . . . . 61.15 111.614 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 64.7 t -59.31 -42.81 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 CA-C-O 120.754 0.311 . . . . 73.02 111.27 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -73.86 -23.37 59.6 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.754 0.422 . . . . 75.54 111.421 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.15 4.65 41.49 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.615 1.166 . . . . 64.04 110.967 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 64.02 13.67 7.89 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.216 1.406 . . . . 72.31 111.135 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 807' ' ' GLN . . . . . 0.507 ' HG2' ' CZ2' ' C' ' 755' ' ' TRP . 26.5 tt0 -102.2 9.04 40.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.754 1.222 . . . . 61.24 110.798 -173.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 0.0 OUTLIER -161.89 142.74 10.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.26 -1.755 . . . . 73.51 106.26 176.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 79.0 t -111.72 129.45 67.11 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 109.21 -0.663 . . . . 74.14 109.21 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -93.1 109.94 21.42 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.896 -1.15 . . . . 74.3 107.896 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.583 ' HB3' HG13 ' C' ' 814' ' ' VAL . 21.8 t -79.3 -157.17 0.12 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.008 -0.738 . . . . 53.32 109.008 172.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.84 76.33 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.022 0.529 . . . . 40.31 111.15 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.76 75.8 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.46 -0.791 . . . . 71.44 112.399 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' C' ' 811' ' ' SER . 5.0 p -145.38 140.89 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.734 -0.839 . . . . 51.01 108.734 178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 815' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' C' ' 803' ' ' VAL . 56.6 m-85 -95.31 147.32 23.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.763 0.316 . . . . 54.1 111.072 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -156.42 132.08 9.56 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.197 -0.91 . . . . 72.41 109.736 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 11.9 tp -78.92 132.18 64.81 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 119.347 -0.358 . . . . 73.43 110.489 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.19 118.04 4.84 Favored 'Trans proline' 0 CA--C 1.555 1.538 0 C-N-CA 121.999 1.8 . . . . 52.0 111.643 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -61.37 -39.3 90.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.135 0.574 . . . . 72.51 109.497 168.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -120.6 131.0 54.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.347 1.059 . . . . 75.51 109.426 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 42.2 t -123.51 122.77 39.06 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.876 -1.157 . . . . 73.21 107.876 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 123.255 0.622 . . . . 62.31 110.902 -174.456 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 111.788 -0.525 . . . . 54.43 111.788 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.3 159.05 28.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 72.21 109.421 -175.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.482 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 1.2 mp0 -91.12 157.09 17.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.082 0.468 . . . . 73.43 111.457 -171.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.476 HD11 HG11 ' B' ' 117' ' ' VAL . 31.1 mt -135.1 152.03 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 N-CA-C 108.521 -0.918 . . . . 54.21 108.521 164.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -104.77 131.22 52.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.761 0.824 . . . . 54.11 108.894 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 57.4 t -102.54 95.11 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.912 -0.773 . . . . 62.41 108.912 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.83 94.6 9.88 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 -172.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 4.5 t -92.7 108.85 20.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.031 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.519 HG21 HD12 ' C' ' 765' ' ' LEU . 9.7 p -102.18 123.04 55.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 121.946 0.879 . . . . 75.23 110.134 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -107.91 84.53 1.97 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.801 -1.09 . . . . 53.32 108.723 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 57.7 t-105 -90.15 104.33 16.92 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 106.006 -1.85 . . . . 52.22 106.006 168.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.32 139.96 18.87 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.509 0.505 . . . . 73.41 111.221 -168.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.6 m -83.03 125.15 31.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.776 . . . . 72.53 109.323 174.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' B' ' 105' ' ' VAL . 45.6 mm -92.89 160.74 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 107.807 -1.183 . . . . 71.34 107.807 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.3 m -132.43 121.68 23.79 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.092 -1.077 . . . . 62.34 108.092 170.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 HG21 ' B' ' 105' ' ' VAL . 3.5 pp -117.02 170.98 8.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.889 -0.782 . . . . 55.22 108.889 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -126.67 127.41 45.12 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.109 -1.071 . . . . 73.04 108.109 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -144.85 173.71 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.804 0.842 . . . . 53.12 109.885 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -116.45 146.77 38.19 Favored Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 123.518 0.727 . . . . 61.43 109.522 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 30.0 Cg_endo -62.15 -30.08 81.7 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.542 2.161 . . . . 65.1 113.182 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -78.66 -13.11 59.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.073 0.549 . . . . 52.11 112.045 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.04 163.03 28.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 122.729 0.412 . . . . 61.32 110.188 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.84 159.24 18.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.354 0.597 . . . . 60.41 110.805 173.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 50' ' ' LEU . 44.7 mm -69.53 -27.32 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.454 -1.248 . . . . 42.13 110.336 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.07 -27.16 69.2 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 122.918 0.487 . . . . 75.54 111.355 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -68.3 -45.19 73.68 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.743 0.652 . . . . 74.54 110.337 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 56' ' ' LEU . 85.3 t -61.14 -48.07 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.922 0.889 . . . . 65.24 109.945 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.57 -48.29 81.41 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.638 -1.619 . . . . 64.11 110.857 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.98 -33.21 70.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.467 -0.788 . . . . 74.55 111.652 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.4 ptpt -76.88 -38.2 54.06 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.133 0.424 . . . . 70.32 110.901 -177.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.678 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.8 pt -69.82 -33.68 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 121.007 0.432 . . . . 71.21 110.058 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.64 -41.08 93.0 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.467 -0.788 . . . . 74.35 111.457 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.69 -50.82 47.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.74 0.816 . . . . 72.32 110.85 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.25 -56.38 3.8 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.645 -1.161 . . . . 52.43 111.597 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -87.86 -17.13 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 122.677 0.391 . . . . 71.33 111.59 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.98 43.3 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 112.392 -0.283 . . . . 74.42 112.392 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' HB ' ' A' ' 30' ' ' ILE . 93.0 mt -79.12 114.57 45.65 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.526 1.13 . . . . 73.3 110.804 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HB2' ' HG3' ' A' ' 40' ' ' GLN . 5.7 Cg_exo -81.05 107.32 1.89 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.61 2.207 . . . . 72.15 110.047 172.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.18 -34.72 88.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.97 2.447 . . . . 72.13 114.321 -169.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.59 -47.02 77.15 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.26 -0.882 . . . . 72.11 111.827 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -89.25 -5.21 57.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.669 0.248 . . . . 74.34 111.669 -177.034 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.465 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 54.8 tt0 -131.55 90.06 2.8 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.17 -1.048 . . . . 72.24 108.17 175.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.76 125.82 29.92 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.863 -1.062 . . . . 65.33 111.066 -170.273 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.614 HD23 HD21 ' A' ' 67' ' ' LEU . 4.6 mp -87.18 138.85 31.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.871 0.868 . . . . 74.44 110.741 -174.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.72 121.6 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 108.372 -0.973 . . . . 71.32 108.372 172.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -109.56 114.96 29.03 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.736 -1.209 . . . . 73.12 107.736 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.46 9.07 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.158 0.799 . . . . 45.02 113.158 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.58 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 91.58 22.49 31.24 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 116.436 -0.347 . . . . 75.52 113.571 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -136.87 136.0 38.33 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.107 0.563 . . . . 74.5 110.603 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -80.85 132.15 35.44 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.128 0.971 . . . . 74.41 110.346 -174.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.714 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.0 mm? -87.85 104.94 17.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.866 0.867 . . . . 73.5 111.094 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -79.86 121.11 25.0 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.698 -0.852 . . . . 75.24 108.698 163.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p-10 -64.13 -23.42 67.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.573 0.749 . . . . 70.23 112.48 -173.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.31 0.18 81.1 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 124.145 0.903 . . . . 64.33 114.292 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.48 176.4 5.16 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 117.788 0.794 . . . . 73.45 109.223 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 p -101.6 164.59 11.67 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.962 -0.384 . . . . 61.34 109.962 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.8 mm? -60.47 -35.72 76.58 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 109.246 -0.65 . . . . 74.5 109.246 174.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -63.3 -34.18 77.12 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.892 1.277 . . . . 64.33 112.587 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.45 -29.93 64.62 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.538 0.685 . . . . 60.25 111.084 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.489 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.1 m-85 -102.1 -1.85 30.68 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.453 -0.794 . . . . 72.34 111.153 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t30 59.41 39.78 21.65 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.413 1.085 . . . . 74.13 110.213 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.489 HG13 ' HB2' ' A' ' 59' ' ' TYR . 99.5 mt -71.99 98.29 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.21 -0.905 . . . . 62.53 109.868 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.97 -179.07 4.56 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.398 1.079 . . . . 73.02 109.534 174.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -73.88 148.13 42.59 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.772 0.656 . . . . 61.14 112.772 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 54.59 31.16 14.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.591 -1.641 . . . . 41.33 112.25 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -85.41 164.65 17.78 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.295 -0.866 . . . . 72.33 108.749 172.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.96 124.74 50.12 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.066 0.936 . . . . 74.22 112.29 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.614 HD21 HD23 ' A' ' 43' ' ' LEU . 55.7 tp -105.04 147.85 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.871 2.068 . . . . 74.45 107.586 171.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' SD ' ' C' ' 776' ' ' MET . 8.1 tt -126.46 144.59 36.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-O 121.561 0.696 . . . . 73.55 109.637 169.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -105.92 117.19 33.39 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.653 1.181 . . . . 72.15 108.734 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.7 mm? -96.25 115.66 27.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.698 -1.223 . . . . 74.01 107.698 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 10.3 tt -72.53 156.53 38.92 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.234 -0.654 . . . . 72.33 109.234 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -33.67 102.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.535 1.534 . . . . 63.4 112.95 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' A' ' 74' ' ' ARG . 6.1 tt -63.78 -56.73 13.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.389 -1.278 . . . . 62.42 109.371 -174.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 73' ' ' LEU . 18.5 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-N 114.792 -1.094 . . . . 72.32 109.449 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.18 -0.768 . . . . 74.45 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.445 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -131.2 149.85 52.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.324 1.449 . . . . 63.34 109.553 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.56 124.3 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.948 -1.13 . . . . 74.22 107.948 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 25.3 pt -118.61 157.21 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.849 0.46 . . . . 73.45 110.54 -169.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.42 131.28 45.54 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 108.691 -0.855 . . . . 74.1 108.691 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 15' ' ' LEU . 76.6 t -124.77 98.73 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.142 -1.058 . . . . 65.12 108.142 -173.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.42 121.85 27.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.064 -0.717 . . . . 74.42 109.064 -169.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.704 HG22 HD22 ' A' ' 69' ' ' LEU . 66.4 p -123.77 141.45 52.01 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 123.869 0.868 . . . . 63.33 110.934 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.485 ' HB ' ' CE3' ' A' ' 10' ' ' TRP . 5.9 p -121.29 121.85 65.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 123.687 0.795 . . . . 62.32 109.498 170.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -128.89 88.41 2.72 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.425 -0.583 . . . . 61.11 109.425 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -83.84 128.66 34.7 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.137 -1.431 . . . . 62.52 107.137 168.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -136.46 112.76 9.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.073 0.949 . . . . 73.4 108.8 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -79.98 112.14 17.0 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.195 -0.668 . . . . 74.12 109.195 173.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 21.6 mt -94.11 169.24 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 107.344 -1.354 . . . . 71.21 107.344 172.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 44.4 m -143.44 133.07 23.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.369 -0.604 . . . . 55.05 109.369 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -137.12 168.24 19.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.175 0.99 . . . . 74.32 109.345 173.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.482 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 25.2 mt-10 -117.15 140.22 49.78 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.245 0.618 . . . . 73.44 109.705 168.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.476 HG11 HD11 ' A' ' 3' ' ' ILE . 1.9 p -136.02 176.72 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 C-N-CA 124.88 1.272 . . . . 74.3 108.606 -172.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.54 154.89 79.52 Favored Pre-proline 0 N--CA 1.485 1.307 0 N-CA-C 108.821 -0.807 . . . . 63.11 108.821 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.59 -21.95 33.54 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.242 1.295 . . . . 74.2 112.335 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.9 m -84.36 -16.24 43.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 73.33 112.875 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' B' ' 117' ' ' VAL . 0.8 OUTLIER -89.74 174.64 7.61 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 119.219 0.918 . . . . 71.41 110.923 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.4 p -104.05 155.05 18.99 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.162 0.985 . . . . 74.32 112.173 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 32.0 mm -57.81 -30.26 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.974 -1.467 . . . . 64.43 111.163 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.01 -35.7 67.13 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.714 0.806 . . . . 65.34 111.041 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.16 -46.34 77.77 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.098 0.874 . . . . 64.41 110.029 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.65 -51.21 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.719 0.808 . . . . 62.15 110.161 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.605 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -69.15 -32.89 72.55 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.521 -0.763 . . . . 75.12 111.32 -177.043 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.99 66.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.508 0.323 . . . . 75.24 111.784 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.6 mmpt? -75.04 -41.28 59.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.419 0.287 . . . . 72.12 111.337 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.648 ' HB ' HD12 ' B' ' 136' ' ' ILE . 24.8 pt -70.47 -30.01 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 109.862 -0.421 . . . . 73.12 109.862 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -68.38 -37.71 80.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.103 0.561 . . . . 71.43 111.325 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.33 -53.29 20.33 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.129 0.571 . . . . 71.14 110.811 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -77.33 -51.86 10.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.501 -0.772 . . . . 63.35 110.796 -172.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -103.18 -10.2 18.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.828 -0.624 . . . . 75.15 112.016 -166.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.26 30.27 63.02 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 120.068 -0.296 . . . . 72.24 112.785 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' B' ' 130' ' ' ILE . 93.7 mt -85.61 107.37 12.22 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 124.582 1.153 . . . . 75.13 110.791 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 4.3 Cg_exo -81.18 118.7 3.36 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.178 1.919 . . . . 44.32 109.406 172.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.605 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 9.9 Cg_endo -48.44 -35.18 27.7 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 123.766 2.977 . . . . 71.02 113.832 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.19 -46.21 81.68 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 115.297 -0.865 . . . . 64.33 112.015 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLN . . . . . 0.507 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 1.5 tm0? -84.7 -39.29 18.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.411 0.684 . . . . 74.24 111.56 -172.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.413 HE22 HG12 ' B' ' 136' ' ' ILE . 44.7 mt-30 -105.05 105.89 16.13 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.593 -1.262 . . . . 73.13 107.593 168.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 115.86 16.5 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 124.961 1.304 . . . . 74.32 109.642 -173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.02 100.92 11.99 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.4 -0.593 . . . . 74.23 109.4 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.33 125.49 51.04 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.514 -0.921 . . . . 72.0 108.514 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -109.07 103.15 12.1 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.907 -0.775 . . . . 53.4 108.907 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.7 29.64 16.15 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.304 1.042 . . . . 73.42 113.087 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.89 46.18 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 116.56 -0.291 . . . . 75.23 113.437 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -141.55 114.89 8.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.854 0.862 . . . . 72.21 109.347 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' B' ' 149' ' ' GLN . 2.7 pp0? -65.25 156.25 32.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.08 0.552 . . . . 74.45 111.253 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.497 HD11 HD23 ' B' ' 167' ' ' LEU . 61.1 mt -99.85 141.83 32.14 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.521 0.729 . . . . 60.33 110.881 -176.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.669 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 43.6 mt-10 -87.42 127.83 35.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.684 -1.228 . . . . 72.04 107.684 163.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.15 -32.63 72.35 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.048 0.539 . . . . 72.31 110.985 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.6 5.43 78.22 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.384 -0.676 . . . . 71.42 114.109 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 8.1 tpt180 -91.58 173.65 7.77 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.084 0.942 . . . . 64.0 109.563 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.0 m -106.18 154.92 20.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.599 0.759 . . . . 75.21 109.15 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' B' ' 161' ' ' ILE . 4.5 mm? -62.34 -43.01 99.81 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.201 0.6 . . . . 72.21 110.867 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.3 t -63.19 -24.77 68.03 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.136 0.791 . . . . 63.33 113.136 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -54.07 -42.04 68.84 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.458 0.647 . . . . 74.53 110.56 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -90.53 -5.48 55.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.895 -1.048 . . . . 71.23 110.252 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 56.33 50.58 12.98 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 124.57 1.148 . . . . 62.11 109.972 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' B' ' 156' ' ' LEU . 14.0 mm -61.26 114.47 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 114.061 -1.427 . . . . 74.44 110.132 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -96.3 164.3 12.71 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-O 121.192 0.52 . . . . 70.44 109.763 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -60.44 128.67 37.84 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.51 -0.768 . . . . 70.2 109.567 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 73.68 25.66 1.99 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.559 1.144 . . . . 74.11 110.554 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' B' ' 145' ' ' PHE . 74.5 m -64.83 158.88 23.85 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 109.0 -0.741 . . . . 63.14 109.0 161.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -140.02 135.46 32.69 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.092 0.405 . . . . 52.15 111.52 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.497 HD23 HD11 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -113.08 136.59 52.53 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.915 0.886 . . . . 63.13 109.589 172.434 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.5 pt -96.52 124.08 49.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.071 0.938 . . . . 63.14 109.119 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.621 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 9.6 mp -81.93 103.26 11.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.549 -1.205 . . . . 75.3 109.282 171.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.56 161.47 14.35 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.586 -1.265 . . . . 65.51 107.586 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.09 150.53 47.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.796 0.725 . . . . 72.44 110.471 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.3 t -37.5 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.239 1.816 . . . . 73.01 114.345 -173.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 29.9 tp -145.29 -88.25 0.11 Allowed 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.115 -0.493 . . . . 75.41 112.085 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.693 -0.67 . . . . 75.44 111.537 -171.112 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.007 -0.437 . . . . 72.23 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 75.2 p -144.31 24.73 1.58 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.486 0.714 . . . . 71.24 110.334 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.33 75.43 1.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.816 1.293 . . . . 72.34 110.018 178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 38.4 t -169.81 35.77 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 113.771 -1.559 . . . . 75.25 107.547 -170.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.74 121.81 16.26 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.617 -1.174 . . . . 42.45 111.821 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 13.5 p -79.41 134.27 36.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.925 0.89 . . . . 65.12 110.877 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -176.63 -154.2 11.55 Favored Glycine 0 C--N 1.344 0.995 0 N-CA-C 111.253 -0.739 . . . . 61.33 111.253 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 13.7 mmt -87.46 62.06 6.93 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.112 0.958 . . . . 71.14 110.964 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -150.47 17.46 0.82 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 113.969 -1.468 . . . . 75.2 108.74 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 6.9 m -58.07 -28.94 65.01 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.511 1.525 . . . . 63.43 113.574 -165.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -63.9 -47.03 82.21 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.271 0.628 . . . . 72.15 111.907 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -88.83 -23.76 22.74 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.909 0.883 . . . . 62.22 110.801 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 25.6 t0 -78.47 -47.01 18.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.877 0.871 . . . . 63.14 111.163 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 746' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 14.0 pt20 -47.07 -48.82 22.45 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.283 1.033 . . . . 60.42 111.829 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 747' ' ' LYS . . . . . 0.716 ' HA ' HD21 ' C' ' 787' ' ' LEU . 17.7 ptmt -76.17 -42.66 45.8 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.747 -1.115 . . . . 62.01 110.618 -171.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.41 -54.67 44.04 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.1 0.875 . . . . 55.51 111.501 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 749' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.2 pt-20 -67.2 -30.89 70.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.726 0.641 . . . . 73.43 110.855 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 750' ' ' GLU . . . . . 0.482 ' HG2' ' HG ' ' C' ' 787' ' ' LEU . 6.3 tp10 -65.39 -43.86 89.34 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 123.415 0.447 . . . . 73.41 110.103 174.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 751' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 94.1 mt -65.68 -32.82 74.59 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.799 0.839 . . . . 62.54 110.801 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.4 -36.26 73.95 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.822 -0.807 . . . . 74.01 108.822 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -45.14 84.78 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.299 0.64 . . . . 72.42 110.404 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.558 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 33.0 m-85 -58.97 -42.79 90.76 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 123.508 0.505 . . . . 71.32 110.227 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -70.1 -26.66 64.08 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.063 -0.971 . . . . 72.33 111.24 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 80.8 m -67.5 -35.76 79.76 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.09 -0.707 . . . . 74.31 109.09 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.58 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 44.5 m-85 -63.5 -60.53 3.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 71.42 110.508 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.588 HD11 HD21 ' C' ' 777' ' ' LEU . 15.0 mt -64.42 -34.56 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 124.135 0.897 . . . . 74.04 111.796 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -75.46 -46.51 32.11 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.668 -0.493 . . . . 73.1 109.668 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.4 62.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.311 0.644 . . . . 71.11 111.883 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.7 ttt -73.31 -59.71 2.58 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.823 -1.177 . . . . 72.22 107.823 172.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.858 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 27.8 mt -71.9 -17.96 62.07 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.703 1.201 . . . . 74.25 113.13 -172.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 73' ' ' LEU . 6.1 t -69.93 -16.31 63.19 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.279 0.632 . . . . 64.31 111.583 -177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.561 ' ND2' ' HB3' ' A' ' 71' ' ' LEU . 2.4 p30 -127.2 -51.11 1.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.222 1.009 . . . . 74.12 109.204 173.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 8' ' ' VAL . 13.4 tp -82.59 64.75 7.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.442 1.497 . . . . 75.03 108.596 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -84.32 53.08 2.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.98 -1.009 . . . . 62.3 111.011 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 27.8 p 178.74 110.12 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.747 1.219 . . . . 74.22 109.854 176.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.8 156.6 18.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.655 0.382 . . . . 70.32 111.369 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.7 t -78.99 155.71 28.77 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 123.283 0.633 . . . . 74.34 109.724 169.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.423 ' O ' HD12 ' C' ' 770' ' ' LEU . 7.6 tp -63.25 -27.4 69.32 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.617 -0.719 . . . . 73.41 110.39 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.53 -43.46 62.31 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 118.224 0.466 . . . . 73.12 111.795 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -64.37 -61.33 2.3 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.808 0.843 . . . . 61.14 111.633 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -35.89 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 115.385 -0.825 . . . . 73.03 111.35 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.458 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 58.1 t80 -65.15 -51.63 60.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.474 0.71 . . . . 64.3 109.768 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -50.79 -46.9 59.85 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 124.205 0.941 . . . . 65.13 111.796 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 776' ' ' MET . . . . . 0.541 ' SD ' HD12 ' A' ' 68' ' ' ILE . 30.5 mtm -65.71 -52.01 54.74 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.525 0.516 . . . . 72.24 111.279 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.588 HD21 HD11 ' C' ' 758' ' ' ILE . 6.4 mp -54.4 -36.51 64.02 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.018 0.437 . . . . 71.44 111.45 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.467 ' HA ' HG12 ' C' ' 781' ' ' VAL . 20.9 mmm180 -67.54 -49.9 61.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.137 -0.938 . . . . 64.31 111.468 177.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 779' ' ' MET . . . . . 0.469 ' HG2' ' HA ' ' C' ' 776' ' ' MET . 11.6 ptm -58.72 -41.28 86.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 118.178 0.445 . . . . 72.12 110.203 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -71.97 -29.77 64.58 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.385 0.513 . . . . 70.44 112.385 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.2 p -81.01 -26.19 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 117.947 0.34 . . . . 74.14 111.835 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 782' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' C' ' 789' ' ' GLU . 21.6 m -92.9 -23.35 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 112.883 0.697 . . . . 64.31 112.883 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 4.7 p -65.22 -18.06 65.0 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.104 0.478 . . . . 71.32 111.541 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -136.5 178.28 18.95 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 109.999 -1.241 . . . . 70.44 109.999 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -58.64 -38.82 87.47 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.928 1.752 . . . . 65.15 111.081 167.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 42.19 -81.17 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.514 1.926 . . . . 72.13 114.412 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 787' ' ' LEU . . . . . 0.716 HD21 ' HA ' ' C' ' 747' ' ' LYS . 86.3 mt -140.18 29.95 2.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.291 1.037 . . . . 74.51 111.381 -176.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.29 33.13 20.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.283 1.033 . . . . 44.15 111.587 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 789' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' C' ' 782' ' ' VAL . 73.5 mt-10 69.76 118.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.651 1.581 . . . . 64.21 111.575 -171.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' C' ' 777' ' ' LEU . 11.6 pt -72.34 154.71 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.626 0.77 . . . . 63.12 110.563 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 791' ' ' ASP . . . . . 0.403 ' OD1' ' HG3' ' C' ' 793' ' ' GLN . 11.0 t70 -105.54 168.54 9.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.907 -1.042 . . . . 71.5 109.736 -168.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.43 -36.83 79.63 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.409 0.684 . . . . 62.33 111.709 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 793' ' ' GLN . . . . . 0.403 ' HG3' ' OD1' ' C' ' 791' ' ' ASP . 3.9 pp0? -76.83 -22.08 54.12 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.561 0.619 . . . . 73.4 110.887 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.36 -46.09 61.29 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.136 0.493 . . . . 71.22 109.769 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.458 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -63.2 -57.66 9.77 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.774 1.23 . . . . 75.01 109.405 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -57.72 -45.62 85.51 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 113.632 -1.622 . . . . 74.5 110.516 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.47 -39.47 96.36 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 124.096 0.873 . . . . 43.04 112.972 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.19 -53.32 56.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.939 0.896 . . . . 75.35 109.932 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 803' ' ' VAL . 66.1 mt -66.23 -40.82 90.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.122 -1.399 . . . . 35.53 111.995 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -44.07 94.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.495 1.118 . . . . 72.43 109.52 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -55.56 33.56 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.326 1.016 . . . . 72.24 109.855 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.4 mmtt -52.27 -44.73 65.1 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 123.988 0.805 . . . . 72.34 112.971 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 75.9 t -64.88 -46.34 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.868 0.467 . . . . 74.31 110.919 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -80.07 -6.34 57.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.321 0.648 . . . . 60.33 111.958 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.72 -8.14 56.44 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.328 1.051 . . . . 70.31 110.749 172.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.0 13.49 7.87 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.811 1.644 . . . . 72.44 111.352 -173.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -79.36 -42.93 24.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.516 1.126 . . . . 70.24 109.353 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.7 OUTLIER -122.34 148.2 45.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.26 1.024 . . . . 52.14 108.565 -172.273 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 52.6 t -106.9 124.25 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.438 0.695 . . . . 51.23 109.422 171.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 810' ' ' TYR . . . . . 0.425 ' HB2' HG21 ' C' ' 803' ' ' VAL . 17.9 t80 -97.21 114.15 25.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 106.909 -1.515 . . . . 64.22 106.909 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 44.4 m -90.35 -142.39 0.16 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 108.35 -0.981 . . . . 72.11 108.35 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.88 72.75 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.667 0.667 . . . . 55.24 110.731 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.82 76.74 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.599 -0.728 . . . . 65.34 113.884 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.41 157.09 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.096 0.558 . . . . 64.11 110.123 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -108.37 144.64 35.66 Favored 'General case' 0 C--O 1.25 1.082 0 C-N-CA 123.169 0.588 . . . . 70.01 110.758 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -156.18 139.04 15.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.556 -1.202 . . . . 74.21 109.426 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.858 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 3.1 tp -85.27 122.03 73.8 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.297 -0.631 . . . . 73.33 109.297 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 818' ' ' PRO . . . . . 0.674 ' HG2' ' HB3' ' C' ' 821' ' ' CYS . 52.0 Cg_endo -68.84 124.93 11.99 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.989 1.793 . . . . 62.14 110.108 170.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -82.5 7.39 14.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.211 0.604 . . . . 73.13 110.677 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -118.0 17.09 14.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.751 1.62 . . . . 55.53 109.963 173.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 821' ' ' CYS . . . . . 0.674 ' HB3' ' HG2' ' C' ' 818' ' ' PRO . 22.8 p -62.67 -37.64 87.21 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.47 0.708 . . . . 64.3 111.561 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.255 1.379 0 N-CA-C 108.338 -0.986 . . . . 73.03 108.338 -179.345 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 110.767 -0.933 . . . . 64.2 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.63 145.84 39.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.024 0.929 . . . . 63.42 109.328 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.598 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -109.0 125.82 52.46 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.696 -0.483 . . . . 72.3 109.696 -172.309 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 156.98 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 74.31 110.899 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.7 m-85 -106.92 118.98 38.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.897 0.879 . . . . 71.11 108.972 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.8 t -110.15 98.94 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 108.757 -0.831 . . . . 60.25 108.757 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.05 99.01 4.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.784 0.833 . . . . 71.35 109.588 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 169' ' ' LEU . 7.8 t -89.38 132.92 34.74 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 109.016 -0.735 . . . . 63.43 109.016 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.36 146.51 10.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.886 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.679 ' HB2' ' HB3' ' B' ' 109' ' ' GLN . 74.2 mt-30 -135.35 83.59 2.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.289 -1.374 . . . . 63.52 107.289 168.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HD1' ' HE ' ' C' ' 772' ' ' ARG . 9.7 t-105 -105.07 104.03 13.68 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 106.553 -1.647 . . . . 74.52 106.553 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -157.8 144.4 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.708 -0.678 . . . . 74.24 111.558 -163.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 ' HB3' ' B' ' 104' ' ' PHE . 1.8 m -88.86 122.67 32.48 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.808 -0.812 . . . . 71.44 108.808 174.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.26 133.02 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.236 . . . . 70.34 108.611 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -99.22 112.79 24.87 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.603 -0.517 . . . . 71.03 109.603 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.684 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -132.46 170.91 14.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.101 0.96 . . . . 64.4 109.356 -178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.26 149.34 26.98 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.408 0.623 . . . . 75.14 110.152 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -142.97 155.23 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.134 -1.394 . . . . 62.43 109.26 169.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mp0 -109.94 135.13 20.5 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.98 0.912 . . . . 65.42 109.672 -170.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 50.9 Cg_exo -56.03 -38.41 94.79 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.845 3.03 . . . . 73.11 114.481 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 m -82.37 -6.81 59.51 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.033 -0.53 . . . . 51.14 111.456 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.36 151.93 27.74 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 122.705 0.402 . . . . 72.33 110.447 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -79.04 166.31 22.45 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.79 0.681 . . . . 63.54 111.389 173.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.759 HG21 ' HB3' ' A' ' 50' ' ' LEU . 39.5 mm -74.38 -28.62 22.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.773 -1.103 . . . . 74.01 110.106 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.98 -28.47 51.94 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.969 0.907 . . . . 74.21 111.536 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 25.5 m120 -65.51 -50.52 64.95 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 124.124 0.97 . . . . 73.35 110.535 174.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.6 -41.87 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.604 0.762 . . . . 63.54 110.233 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG3' ' NE2' ' A' ' 41' ' ' GLN . 32.5 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.819 1.248 . . . . 73.11 110.54 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.84 -26.42 64.21 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 114.621 -1.172 . . . . 54.42 111.302 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -74.91 -42.6 57.47 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 122.842 0.457 . . . . 62.14 110.755 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.598 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.9 pt -69.31 -34.52 63.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 109.987 -0.375 . . . . 64.03 109.987 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.63 -39.54 80.74 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.596 0.236 . . . . 75.41 111.159 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.52 -50.52 58.37 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.578 0.751 . . . . 51.01 111.223 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 68.4 mmtt -80.5 -57.43 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.289 -0.869 . . . . 73.21 110.298 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 42.7 mm-40 -90.73 -24.14 20.48 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.165 0.586 . . . . 62.23 112.008 -168.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.14 36.09 36.35 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 112.198 -0.361 . . . . 64.22 112.198 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.598 HD12 ' HB ' ' A' ' 30' ' ' ILE . 90.3 mt -82.74 117.39 68.38 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.909 0.884 . . . . 71.31 109.127 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.8 Cg_endo -61.59 114.29 2.19 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.899 2.399 . . . . 74.41 111.579 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 10.1 Cg_endo -51.08 -40.48 59.47 Favored 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 124.123 3.216 . . . . 75.32 112.952 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.92 -38.71 86.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.361 -1.29 . . . . 73.03 112.223 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 71.9 mt-30 -97.51 4.97 50.25 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.452 0.701 . . . . 70.21 112.044 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -92.11 135.14 34.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.412 1.085 . . . . 75.22 110.669 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.8 76.89 1.75 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.365 1.066 . . . . 72.4 109.19 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 67' ' ' LEU . 39.9 mt -71.91 135.38 46.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.939 0.496 . . . . 71.21 109.943 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -132.48 121.4 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 108.407 -0.96 . . . . 70.5 108.407 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.0 t80 -109.71 116.22 31.3 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.286 1.034 . . . . 71.05 108.808 -173.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 20.56 6.19 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.922 0.889 . . . . 72.23 112.925 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 88.27 27.11 26.36 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.403 -0.362 . . . . 55.24 113.518 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -135.13 134.24 40.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.978 0.911 . . . . 64.31 110.06 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -81.45 133.2 35.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.345 0.658 . . . . 74.03 110.165 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 23' ' ' ILE . 3.4 mm? -78.12 105.93 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.301 1.04 . . . . 74.41 111.455 -173.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -78.58 124.61 28.35 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.874 0.87 . . . . 71.35 109.842 170.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.93 -44.1 78.03 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.316 -1.311 . . . . 75.24 112.804 -169.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.04 14.02 61.7 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 115.126 -0.943 . . . . 63.11 114.359 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -97.69 170.03 9.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.641 0.72 . . . . 53.12 109.118 175.132 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.8 p -101.55 168.72 9.31 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 121.041 0.448 . . . . 74.23 110.187 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 61' ' ' ILE . 3.8 mm? -66.44 -41.78 88.66 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 115.174 -0.921 . . . . 71.3 108.754 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -69.12 -29.96 68.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.504 0.322 . . . . 62.1 110.963 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.0 -31.08 68.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.545 0.738 . . . . 73.44 110.191 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -95.71 -3.36 46.11 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 114.777 -1.101 . . . . 74.44 111.513 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t30 52.18 50.38 18.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.249 1.019 . . . . 60.31 109.325 -175.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -64.77 98.61 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 114.121 -1.4 . . . . 73.24 108.059 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 19.0 pt20 -78.45 165.86 23.29 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.673 -0.694 . . . . 64.22 110.611 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.2 ttmt -68.51 135.42 51.57 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.377 -0.829 . . . . 73.3 109.889 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 37.9 mt-10 61.57 34.3 17.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.78 1.232 . . . . 75.34 111.937 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.49 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 8.1 t -85.4 167.26 15.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.298 -0.864 . . . . 75.53 109.411 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 139.44 50.15 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.55 0.69 . . . . 71.1 111.365 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 105' ' ' VAL . 44.1 tp -123.63 145.04 49.23 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.988 1.715 . . . . 71.02 107.673 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 7.5 tt -122.7 135.75 61.75 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 109.338 -0.616 . . . . 74.33 109.338 170.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -95.66 114.08 25.79 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.261 0.625 . . . . 63.5 109.413 173.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.5 mp -97.18 153.07 18.22 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.02 -1.845 . . . . 72.33 106.02 166.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -108.41 173.72 6.2 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 109.241 -0.651 . . . . 63.23 109.241 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -50.98 109.14 0.29 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.761 0.663 . . . . 62.13 110.44 173.142 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' C' ' 763' ' ' THR . 2.5 pt? -62.9 -16.5 59.22 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 124.132 0.895 . . . . 71.31 112.244 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 108.797 -0.816 . . . . 73.43 108.797 172.46 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.009 -0.836 . . . . 65.45 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.63 152.01 18.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.135 -0.691 . . . . 42.44 109.135 175.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 2.2 mm100 -83.77 153.58 24.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.316 -0.994 . . . . 63.33 108.316 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.9 pt -143.46 157.84 16.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 123.652 0.781 . . . . 64.14 109.81 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HB3' HG22 ' A' ' 12' ' ' THR . 20.7 m-85 -116.7 107.66 14.95 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.73 -1.211 . . . . 63.33 107.73 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.684 HG13 HD21 ' A' ' 15' ' ' LEU . 16.0 m -101.06 123.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.058 0.456 . . . . 62.53 110.923 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 5.0 m-20 -83.28 97.99 9.18 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.735 -1.209 . . . . 74.3 107.735 175.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 t -93.88 140.42 29.71 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 115.475 -0.784 . . . . 65.52 110.37 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.94 117.16 54.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-N 114.276 -1.329 . . . . 64.53 107.664 171.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 9' ' ' GLN . 6.7 tp-100 -138.46 102.66 4.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.542 0.737 . . . . 72.13 109.531 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -107.61 132.83 52.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.563 0.745 . . . . 62.13 109.116 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -130.35 116.4 18.24 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.597 0.759 . . . . 75.22 110.349 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 m -81.32 111.32 17.59 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.135 -0.691 . . . . 60.1 109.135 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 48.1 mt -89.99 156.94 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 107.443 -1.317 . . . . 73.51 107.443 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 52.1 m -142.47 111.56 6.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.931 -0.766 . . . . 51.41 108.931 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.57 139.34 42.1 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.751 -0.659 . . . . 71.11 109.827 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 39.4 tt0 -81.68 141.65 33.42 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.234 -0.654 . . . . 74.11 109.234 174.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 12.3 p -142.64 164.67 16.96 Favored 'Isoleucine or valine' 0 C--O 1.247 0.936 0 C-N-CA 123.899 0.88 . . . . 64.13 108.831 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -105.95 151.59 40.07 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 123.286 0.634 . . . . 71.24 109.824 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.04 -32.57 43.71 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 122.573 2.182 . . . . 73.04 112.033 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.86 -10.66 59.24 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.178 0.591 . . . . 64.33 111.766 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.18 156.71 38.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.311 0.382 . . . . 71.21 110.307 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' THR . . . . . 0.442 ' OG1' ' HG2' ' B' ' 124' ' ' GLU . 1.8 p -86.8 162.91 17.55 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.291 0.567 . . . . 55.31 110.758 169.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 30.3 mm -71.15 -21.59 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 CA-C-N 115.325 -0.852 . . . . 43.14 109.402 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' B' ' 127' ' ' LYS . 11.7 pt-20 -65.66 -16.44 63.74 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.759 0.824 . . . . 74.03 111.495 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.1 m-80 -59.4 -57.93 10.85 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.638 0.587 . . . . 74.14 109.489 165.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.49 -35.82 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.293 0.637 . . . . 74.34 110.159 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LYS . . . . . 0.58 ' HB3' ' HA ' ' B' ' 124' ' ' GLU . 4.4 tmmm? -58.84 -49.62 77.06 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.332 1.053 . . . . 74.23 110.528 173.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.1 74.69 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.875 -0.602 . . . . 72.01 110.523 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.2 mmtp -71.45 -42.09 68.63 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.075 0.55 . . . . 64.5 111.285 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.4 -28.18 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 110.25 -0.278 . . . . 63.5 110.25 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.64 -33.44 53.57 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.317 0.647 . . . . 55.53 110.956 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.35 -50.4 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.668 0.787 . . . . 55.0 109.928 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -83.32 -54.75 4.76 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 114.919 -1.037 . . . . 52.04 112.198 -173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -91.12 -22.42 20.7 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.854 0.297 . . . . 72.25 110.48 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 82.86 26.27 46.14 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.97 -0.559 . . . . 73.5 112.881 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 59.3 mt -91.12 104.78 10.4 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 124.131 0.972 . . . . 73.32 110.085 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 50.6 Cg_exo -59.18 154.26 47.23 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.888 2.392 . . . . 61.32 112.743 172.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 138' ' ' PRO . . . . . 0.421 ' HD3' ' HD3' ' B' ' 127' ' ' LYS . 15.9 Cg_endo -53.74 -31.6 61.94 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 124.118 3.212 . . . . 70.32 113.003 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -54.45 -45.76 73.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.895 1.372 . . . . 75.23 112.064 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -104.05 13.51 32.4 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.006 0.522 . . . . 74.11 112.39 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -76.84 100.91 5.67 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 109.516 -0.55 . . . . 72.12 109.516 168.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.744 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 7.6 tpt180 -100.95 71.19 1.41 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 107.538 -1.282 . . . . 73.34 107.538 166.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 101.93 11.68 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 107.766 -1.198 . . . . 72.33 107.766 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -100.0 149.91 22.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.762 -0.829 . . . . 63.23 108.762 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -143.26 108.4 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.657 1.183 . . . . 52.14 107.868 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.61 23.84 13.6 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.812 0.845 . . . . 65.54 112.774 174.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.66 15.68 45.44 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.356 -0.384 . . . . 64.44 113.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -139.42 128.69 24.03 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.056 0.542 . . . . 64.4 110.126 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.55 161.18 28.48 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.013 0.925 . . . . 71.4 111.46 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.639 HD11 HD23 ' B' ' 167' ' ' LEU . 52.3 mt -115.92 117.94 31.56 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 123.703 0.801 . . . . 52.13 109.629 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 151' ' ' GLU . . . . . 0.521 ' HB2' ' HD3' ' B' ' 154' ' ' ARG . 4.7 mp0 -78.73 131.28 36.53 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.036 -1.098 . . . . 74.34 108.036 170.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 152' ' ' ASP . . . . . 0.576 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 11.2 p-10 -59.62 -30.34 68.63 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.085 0.554 . . . . 72.23 111.675 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.3 6.5 63.72 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 114.457 0.543 . . . . 73.34 114.457 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.521 ' HD3' ' HB2' ' B' ' 151' ' ' GLU . 0.9 OUTLIER -97.26 167.8 10.81 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 109.106 -0.702 . . . . 74.25 109.106 176.566 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 155' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 12.3 p -96.99 167.32 11.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.64 0.376 . . . . 50.53 110.84 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 156' ' ' LEU . . . . . 0.447 HD12 HG21 ' B' ' 161' ' ' ILE . 3.2 mm? -67.05 -38.72 86.34 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 108.82 -0.807 . . . . 73.42 108.82 172.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.1 t -66.47 -29.66 69.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.348 0.659 . . . . 74.4 111.657 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.23 -32.48 62.31 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.28 0.632 . . . . 75.53 111.289 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.19 -2.46 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.46 0.704 . . . . 73.55 110.914 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 59.7 t30 53.53 53.47 11.53 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.092 0.957 . . . . 75.13 109.735 -174.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.447 HG21 HD12 ' B' ' 156' ' ' LEU . 3.5 mm -64.12 111.58 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.562 -1.199 . . . . 72.03 109.681 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -87.52 165.7 15.31 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 121.647 0.737 . . . . 71.14 110.56 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -64.79 142.08 58.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 108.082 -1.081 . . . . 61.33 108.082 170.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.1 20.22 10.35 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.319 1.448 . . . . 74.43 112.268 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.0 m -54.88 126.16 23.19 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 118.566 0.621 . . . . 61.31 110.878 167.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -104.65 115.85 31.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.395 0.678 . . . . 73.13 109.658 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.639 HD23 HD11 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -118.23 151.61 37.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.541 1.137 . . . . 71.02 108.134 -174.029 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.0 tt -117.91 116.65 52.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-O 121.789 0.804 . . . . 74.32 110.19 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 57.3 tp -89.99 103.92 16.54 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.63 -1.168 . . . . 71.25 109.935 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 142' ' ' ARG . 71.5 mt -103.43 161.58 13.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.953 1.301 . . . . 71.55 109.597 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.94 140.8 37.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.947 -1.131 . . . . 75.05 107.947 164.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' THR . . . . . 0.744 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 40.5 m -47.7 101.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.451 0.908 . . . . 72.34 113.451 -173.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.22 131.62 5.88 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.352 -1.295 . . . . 74.11 107.973 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 . . . . . 0 CA--C 1.563 1.447 0 C-N-CA 125.261 1.424 . . . . 71.21 111.737 179.873 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.186 -0.366 . . . . 72.25 112.186 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 50.9 m -154.46 15.78 0.45 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.025 0.93 . . . . 53.05 110.517 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.21 -177.72 6.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.683 0.793 . . . . 71.21 110.377 -166.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 16.4 t 67.97 37.32 3.08 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.729 1.212 . . . . 73.53 111.393 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.09 -176.11 5.36 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.048 0.939 . . . . 71.45 110.835 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 51.0 m -99.73 124.0 44.56 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.567 0.747 . . . . 74.23 109.937 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -59.23 93.78 0.05 OUTLIER Glycine 0 C--N 1.349 1.284 0 O-C-N 123.843 0.714 . . . . 71.03 113.07 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.93 -36.73 84.38 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.072 0.949 . . . . 74.44 112.018 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 741' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' C' ' 744' ' ' ALA . . . -156.53 -106.24 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.571 0.748 . . . . 60.35 109.154 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 48.2 m -146.64 -85.73 0.11 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.847 -0.797 . . . . 71.32 108.847 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -21.83 43.56 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 109.998 -0.371 . . . . 75.22 109.998 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 744' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' C' ' 741' ' ' ALA . . . -69.08 -43.7 74.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.14 0.976 . . . . 50.15 110.207 174.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 745' ' ' ASP . . . . . 0.479 ' HB2' ' H ' ' C' ' 741' ' ' ALA . 35.6 t70 -68.26 -42.71 79.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.479 -0.782 . . . . 33.14 110.54 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.05 -56.18 13.86 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.136 1.374 . . . . 73.41 112.128 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.39 -36.37 81.18 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.711 0.632 . . . . 54.03 111.859 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.32 -55.62 32.59 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.055 0.847 . . . . 61.14 111.507 171.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.1 -24.59 67.48 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.096 -0.502 . . . . 72.22 111.037 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.61 -39.64 67.11 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.146 0.579 . . . . 72.33 109.726 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.59 -36.29 83.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.834 0.854 . . . . 63.42 110.323 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.2 -34.63 71.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.018 -0.992 . . . . 74.1 109.781 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.37 -34.35 65.54 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.001 0.92 . . . . 70.21 109.364 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.479 ' O ' HG13 ' C' ' 758' ' ' ILE . 12.4 m-85 -65.59 -39.6 91.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.975 -1.011 . . . . 72.02 109.829 171.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -72.79 -26.03 61.37 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 115.677 -0.692 . . . . 73.43 110.262 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 81.7 m -64.39 -39.82 94.61 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 108.917 -0.771 . . . . 63.14 108.917 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 757' ' ' TYR . . . . . 0.449 ' HA ' HD21 ' A' ' 70' ' ' LEU . 32.7 m-85 -59.21 -66.86 0.44 Allowed 'General case' 0 C--N 1.361 1.098 0 O-C-N 123.864 0.728 . . . . 74.32 110.311 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.487 HG23 HG21 ' C' ' 773' ' ' ILE . 13.4 mt -62.8 -36.62 76.26 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 O-C-N 124.197 0.935 . . . . 40.54 111.069 -166.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -63.74 -61.93 1.98 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.664 0.386 . . . . 71.33 110.184 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.512 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -65.2 -20.62 66.52 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.226 0.536 . . . . 71.31 111.155 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.562 ' HG2' ' HB2' ' C' ' 766' ' ' GLU . 25.5 ttt -74.53 -59.65 2.64 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 125.113 1.365 . . . . 53.42 109.925 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 762' ' ' LEU . . . . . 0.461 ' HB2' HD22 ' C' ' 817' ' ' LEU . 75.0 mt -61.29 -25.3 67.01 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 124.25 1.02 . . . . 74.52 112.213 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 763' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 73' ' ' LEU . 26.3 m -49.59 -32.58 13.04 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.657 1.583 . . . . 74.14 113.126 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -151.96 -28.73 0.17 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.042 0.537 . . . . 71.11 111.219 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 765' ' ' LEU . . . . . 0.477 HD12 ' HG3' ' C' ' 761' ' ' MET . 1.4 tm? -93.57 -72.51 0.6 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.383 1.073 . . . . 73.22 110.775 -167.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 766' ' ' GLU . . . . . 0.696 ' HG2' HG23 ' C' ' 773' ' ' ILE . 13.4 tp10 -85.25 42.77 0.96 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.768 -0.583 . . . . 74.33 112.466 -166.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 50.8 m -70.61 52.15 0.14 Allowed 'General case' 0 CA--C 1.57 1.736 0 C-N-CA 123.97 0.908 . . . . 62.24 112.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -122.79 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.636 1.174 . . . . 74.32 111.005 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 34.4 t -74.08 143.56 45.36 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.854 1.057 . . . . 44.33 113.854 -156.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 770' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' C' ' 773' ' ' ILE . 12.7 tp -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.838 -1.074 . . . . 52.43 110.565 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -53.99 -33.4 56.98 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.382 0.61 . . . . 74.45 110.736 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.48 ' HE ' ' HD1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -67.3 -66.45 0.56 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.519 -1.218 . . . . 75.33 111.208 -176.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.696 HG23 ' HG2' ' C' ' 766' ' ' GLU . 0.2 OUTLIER -60.25 -30.39 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-N 118.994 0.816 . . . . 71.2 111.269 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.28 -57.85 11.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.385 0.274 . . . . 64.44 110.439 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -69.44 -28.72 66.36 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.006 0.373 . . . . 64.05 112.006 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -61.77 -55.21 32.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.028 0.442 . . . . 61.13 110.155 171.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.433 HD21 HG12 ' C' ' 758' ' ' ILE . 1.0 OUTLIER -55.01 -38.37 67.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.654 1.581 . . . . 75.42 112.378 176.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -64.46 -43.74 93.29 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 123.664 0.785 . . . . 74.43 110.559 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -57.41 -47.18 82.41 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.689 -0.687 . . . . 61.04 110.605 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.32 -34.33 75.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.444 0.535 . . . . 72.01 112.444 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.448 HG11 HG12 ' C' ' 790' ' ' ILE . 6.2 p -79.08 -26.31 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.705 0.261 . . . . 70.44 111.705 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.05 -34.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 122.089 -0.382 . . . . 60.15 110.668 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.5 p -77.56 -26.19 50.72 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.054 0.455 . . . . 65.11 110.742 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.89 93.61 0.55 Allowed Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 108.743 -1.743 . . . . 72.12 108.743 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -70.65 11.56 0.48 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.38 2.72 . . . . 61.23 113.832 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.89 56.78 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.801 1.24 . . . . 74.22 112.989 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 68.2 mt -112.89 -5.12 13.86 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.315 0.646 . . . . 75.22 110.995 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.9 -67.75 0.14 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.63 1.572 . . . . 52.21 111.672 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -147.53 115.85 6.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.838 1.255 . . . . 71.54 108.911 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.448 HG12 HG11 ' C' ' 781' ' ' VAL . 31.7 pt -77.48 153.39 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.877 -0.786 . . . . 72.15 108.877 165.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 791' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' C' ' 793' ' ' GLN . 16.2 t70 -113.19 167.03 10.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.906 0.483 . . . . 54.53 109.915 -173.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.24 -54.18 49.71 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 123.667 0.787 . . . . 72.35 110.661 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 793' ' ' GLN . . . . . 0.414 ' HG3' ' OD2' ' C' ' 791' ' ' ASP . 0.0 OUTLIER -63.02 -32.91 74.38 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.996 0.369 . . . . 60.25 111.996 -175.376 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.08 -49.78 33.6 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.089 0.556 . . . . 53.45 111.899 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.85 -49.85 41.68 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.668 0.787 . . . . 73.11 109.393 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 796' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' C' ' 799' ' ' LEU . 54.0 tt0 -58.28 -46.58 85.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 71.22 111.211 171.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.19 77.18 Favored Glycine 0 N--CA 1.477 1.414 0 O-C-N 123.57 0.544 . . . . 62.32 113.837 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.43 ' O ' ' HG2' ' C' ' 802' ' ' LYS . 29.6 t80 -65.27 -52.63 53.09 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.956 0.902 . . . . 74.32 109.052 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 799' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 796' ' ' GLN . 12.1 mt -56.84 -39.8 74.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.734 1.214 . . . . 70.12 111.801 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -43.38 90.07 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.841 1.257 . . . . 63.44 109.776 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -52.6 65.0 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 108.525 -0.917 . . . . 73.34 108.525 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.1 mmtt -53.62 -46.31 70.42 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.023 0.827 . . . . 73.12 111.963 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 803' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.2 t -60.35 -49.64 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.368 0.667 . . . . 74.34 110.476 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -73.72 -9.41 58.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.676 . . . . 72.32 112.362 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -94.61 -1.33 53.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.77 0.828 . . . . 74.14 112.038 174.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 65.5 12.19 7.98 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.417 1.487 . . . . 72.42 111.107 -173.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -79.94 -24.76 40.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.175 0.99 . . . . 72.4 109.421 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.8 OUTLIER -134.53 146.77 50.0 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.593 1.157 . . . . 73.54 108.197 -178.511 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.71 119.73 60.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 C-N-CA 123.826 0.85 . . . . 72.43 108.869 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -93.23 106.63 18.57 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.089 -1.448 . . . . 62.52 107.089 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 37.4 t -89.53 -133.67 0.1 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.478 -0.934 . . . . 70.32 108.478 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.9 72.24 2.08 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.025 0.83 . . . . 60.14 111.128 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.62 23.62 77.56 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 116.234 -0.439 . . . . 72.24 112.561 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.28 150.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.201 0.6 . . . . 72.44 110.248 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.14 134.77 46.0 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 109.198 -0.667 . . . . 74.22 109.198 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 141.8 22.33 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.129 -0.941 . . . . 74.34 109.18 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 817' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' C' ' 762' ' ' LEU . 1.0 OUTLIER -86.46 127.16 61.96 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-N 118.017 0.371 . . . . 74.25 110.603 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.04 141.13 39.37 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.626 2.218 . . . . 74.11 112.231 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -129.03 9.29 5.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.879 0.872 . . . . 74.0 111.051 170.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.93 123.89 20.15 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.107 0.563 . . . . 74.13 110.043 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 55.0 m -137.44 163.18 31.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.847 1.259 . . . . 71.01 108.848 174.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.252 1.221 0 N-CA-C 109.507 -0.553 . . . . 62.04 109.507 -176.272 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.95 -0.46 . . . . 45.04 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.47 163.62 36.62 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.898 0.879 . . . . 71.45 109.275 -171.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.689 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 0.5 OUTLIER -99.89 159.45 15.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.745 -0.661 . . . . 72.45 109.326 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 115' ' ' LEU . 14.1 pt -135.72 162.15 37.44 Favored 'Isoleucine or valine' 0 C--O 1.247 0.943 0 C-N-CA 124.306 1.042 . . . . 63.42 108.878 174.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 23.0 m-85 -115.56 117.32 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.322 -0.853 . . . . 73.13 108.863 172.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 47.4 t -96.22 93.2 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.692 -1.225 . . . . 73.41 107.692 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 97.6 8.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.098 -0.956 . . . . 75.43 110.475 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -94.36 128.57 40.96 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.079 0.466 . . . . 72.33 110.421 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.98 141.09 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.894 0.878 . . . . 71.24 109.841 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -139.05 148.28 43.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.527 0.731 . . . . 74.22 109.654 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.402 ' HZ2' ' HE2' ' C' ' 761' ' ' MET . 23.1 m95 -94.28 118.88 32.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.542 -0.91 . . . . 72.53 108.542 170.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -127.86 113.17 15.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.829 0.347 . . . . 73.55 110.993 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 28.0 m -88.08 129.08 35.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.254 0.622 . . . . 73.13 110.15 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 mm -107.3 112.54 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.821 -0.807 . . . . 73.23 108.821 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' CD1' ' B' ' 104' ' ' PHE . 25.6 p -87.3 128.1 35.18 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.64 0.376 . . . . 74.53 110.746 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.07 170.08 16.58 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.82 0.848 . . . . 44.44 110.04 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 3.3 tm-20 -121.47 132.95 55.02 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 106.916 -1.512 . . . . 74.34 106.916 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG22 ' A' ' 26' ' ' VAL . 12.0 m -136.17 172.15 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.197 0.599 . . . . 63.1 111.502 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -104.63 155.03 38.03 Favored Pre-proline 0 N--CA 1.479 0.985 0 N-CA-C 108.728 -0.841 . . . . 74.41 108.728 173.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.85 -36.02 33.23 Favored 'Trans proline' 0 C--N 1.365 1.426 0 C-N-CA 122.326 2.017 . . . . 70.04 111.24 170.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 p -78.78 -11.25 59.98 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.417 0.687 . . . . 73.35 112.172 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.77 153.5 43.15 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.555 0.742 . . . . 74.54 110.171 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -82.72 157.3 23.35 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.645 0.736 . . . . 75.13 110.311 167.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.79 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.3 mm -69.06 -28.24 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.389 -1.278 . . . . 64.34 111.045 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.03 -18.88 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.052 0.541 . . . . 70.34 111.085 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 10.3 m120 -66.0 -52.41 49.62 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.039 0.837 . . . . 63.41 109.424 169.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HG11 ' A' ' 17' ' ' VAL . 96.0 t -54.43 -49.06 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.319 1.048 . . . . 74.55 110.549 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -58.34 -48.56 80.16 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.893 -1.503 . . . . 71.35 111.008 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.57 66.05 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.615 -0.72 . . . . 34.52 111.501 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 71.1 mmtt -72.98 -46.49 52.0 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 122.835 0.454 . . . . 75.55 110.329 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.695 ' HB ' HD12 ' A' ' 36' ' ' ILE . 16.0 pt -69.77 -32.38 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 CA-C-O 120.789 0.328 . . . . 74.15 110.779 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -66.74 -35.46 80.17 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 123.415 0.686 . . . . 55.02 110.91 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.84 -49.01 64.55 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.56 0.744 . . . . 71.51 110.48 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.2 mmtt -75.49 -65.65 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.558 0.743 . . . . 71.21 110.881 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HB3' HG13 ' A' ' 36' ' ' ILE . 40.6 tt0 -90.27 -31.17 17.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.805 0.442 . . . . 74.32 111.031 -172.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 27.05 9.1 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.848 -0.615 . . . . 60.51 112.17 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.695 HD12 ' HB ' ' A' ' 30' ' ' ILE . 57.7 mt -65.6 112.76 9.4 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.103 0.961 . . . . 64.43 110.665 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 Cg_endo -70.13 111.27 2.84 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.215 2.61 . . . . 71.4 112.583 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 Cg_endo -57.97 -37.77 94.72 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.843 3.028 . . . . 61.35 114.128 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.67 -41.67 82.02 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 124.399 1.062 . . . . 73.12 112.39 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -11.13 30.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.178 -0.464 . . . . 63.43 111.75 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -78.73 143.54 36.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.873 0.869 . . . . 53.23 111.629 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -136.53 74.01 1.48 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.317 1.447 . . . . 61.5 107.148 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.91 121.17 17.63 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.618 -0.882 . . . . 53.4 108.618 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 15.7 mt -125.71 143.96 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.81 0.844 . . . . 70.22 110.681 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 50' ' ' LEU . 27.0 t80 -131.8 112.77 12.78 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.914 1.686 . . . . 61.44 109.419 -174.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.39 18.96 9.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.679 0.792 . . . . 71.14 112.171 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.99 59.01 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.638 -0.71 . . . . 60.22 113.936 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -122.52 112.56 18.18 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 107.649 -1.241 . . . . 52.42 107.649 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 34.8 tt0 -70.33 137.01 50.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.772 -0.649 . . . . 74.21 109.809 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.1 mm? -80.43 100.82 8.68 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 124.19 0.996 . . . . 52.21 108.789 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 11.9 mp0 -65.08 123.49 19.62 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.536 -1.283 . . . . 75.53 107.536 166.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.24 -36.87 78.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.969 0.508 . . . . 61.3 111.438 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 13.35 31.21 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.575 -0.569 . . . . 72.5 114.223 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.0 tpt180 -98.31 178.48 5.04 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.824 0.85 . . . . 72.35 109.222 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 57' ' ' SER . 19.7 m -108.94 150.72 27.31 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.306 -0.627 . . . . 71.43 109.306 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 23' ' ' ILE . 3.5 mm? -57.59 -40.07 78.2 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.477 -0.564 . . . . 74.33 109.477 175.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 55' ' ' THR . 44.2 t -62.76 -29.04 70.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.352 1.061 . . . . 74.12 113.182 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.09 -35.93 69.99 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.23 0.538 . . . . 63.31 110.786 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 61' ' ' ILE . 51.8 m-85 -93.36 -8.3 42.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.148 -0.933 . . . . 74.24 110.263 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 t30 48.72 56.61 7.38 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.705 1.202 . . . . 75.31 109.763 -168.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 59' ' ' TYR . 3.3 mm -62.22 111.52 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 113.995 -1.457 . . . . 72.22 109.322 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -81.84 -178.86 7.16 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.593 -0.73 . . . . 74.44 110.206 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.8 ttmt -79.01 144.1 35.03 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.573 -0.528 . . . . 75.21 109.573 170.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 40.2 mt-10 63.43 28.41 15.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.869 1.356 . . . . 74.44 111.576 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.9 m -60.89 118.22 6.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 115.44 -0.8 . . . . 44.2 109.546 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 120.51 31.42 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.906 -0.776 . . . . 73.04 108.906 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.83 162.91 16.98 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.942 -1.503 . . . . 62.12 106.942 174.765 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 tt -135.59 138.78 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-O 121.096 0.474 . . . . 52.2 110.322 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -79.97 118.7 21.95 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.347 -0.842 . . . . 70.14 109.828 170.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' C' ' 760' ' ' ALA . 64.7 mt -95.48 158.87 15.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 105.851 -1.907 . . . . 54.21 105.851 159.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' C' ' 764' ' ' ASN . 2.4 pt? -126.38 171.96 10.56 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.406 -0.59 . . . . 51.32 109.406 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.2 m -35.31 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.155 1.382 . . . . 73.43 114.266 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 tp -86.5 -33.47 20.32 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.801 -1.545 . . . . 72.12 108.761 167.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.147 -1.388 . . . . 74.14 109.897 -172.175 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.977 0 N-CA-C 111.024 -0.83 . . . . 71.52 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.441 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -157.56 154.26 28.26 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.46 0.704 . . . . 73.5 110.675 178.106 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.81 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 19.4 mp0 -107.55 125.24 51.05 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.327 -0.99 . . . . 75.2 108.327 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.89 160.33 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.984 0.514 . . . . 64.14 110.436 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -120.17 105.7 11.23 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.514 -0.921 . . . . 70.13 108.514 -172.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.457 HG21 HG21 ' A' ' 30' ' ' ILE . 27.6 m -99.25 106.87 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 107.904 -1.147 . . . . 73.51 107.904 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 37.2 t0 -87.7 138.19 31.68 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.864 -1.062 . . . . 70.01 110.311 -170.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 69' ' ' LEU . 62.6 p -129.38 144.15 51.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.54 0.736 . . . . 64.24 111.308 -166.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -91.21 109.34 20.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.37 -0.974 . . . . 50.11 108.37 174.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -98.96 95.24 7.02 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.664 -0.698 . . . . 73.2 109.896 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -99.24 131.97 44.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.28 1.032 . . . . 75.41 109.194 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -132.77 144.33 50.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.763 1.225 . . . . 72.14 108.52 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 40.1 m -115.98 113.15 22.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.894 0.878 . . . . 75.31 109.814 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.595 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 40.5 mt -92.45 159.77 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 108.42 -0.956 . . . . 60.35 108.42 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 64.9 m -132.34 107.41 8.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.244 0.618 . . . . 62.44 109.761 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 3' ' ' ILE . 3.8 tt -117.9 138.73 51.94 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.686 1.194 . . . . 65.31 108.504 -172.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.689 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 26.2 mt-10 -102.98 117.39 34.48 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.337 0.589 . . . . 65.11 110.21 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.8 p -124.74 166.12 20.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 115.045 -0.98 . . . . 74.44 110.707 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -109.66 152.62 42.95 Favored Pre-proline 0 N--CA 1.476 0.847 0 N-CA-C 108.777 -0.823 . . . . 72.21 108.777 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.89 -32.6 54.79 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.185 1.923 . . . . 72.34 111.302 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 40.7 m -87.65 5.53 39.14 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.934 0.894 . . . . 74.03 112.392 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -82.34 153.24 25.88 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.566 -0.531 . . . . 74.15 109.566 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -82.75 165.75 19.65 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.52 -0.764 . . . . 70.25 109.604 165.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 154' ' ' ARG . 30.9 mm -64.3 -28.1 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 115.373 -0.83 . . . . 75.31 110.897 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.14 -28.21 62.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.482 0.713 . . . . 72.02 111.493 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 44.4 m-80 -62.31 -55.25 30.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.603 0.761 . . . . 62.11 110.161 174.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.68 -47.49 85.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 C-N-CA 124.27 1.028 . . . . 75.11 110.819 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.38 -38.6 81.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.033 -1.439 . . . . 65.11 110.951 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.67 61.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.968 -0.539 . . . . 55.53 110.89 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 70.7 mmtt -66.59 -56.76 9.26 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 118.237 0.471 . . . . 71.44 110.512 173.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 5' ' ' VAL . 7.9 pt -63.52 -29.39 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 120.853 0.359 . . . . 75.24 111.698 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -66.87 -42.77 85.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.762 0.825 . . . . 64.01 111.506 170.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.95 -38.35 85.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.015 0.526 . . . . 62.34 110.927 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -83.13 -45.66 13.68 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.951 -1.022 . . . . 64.33 112.735 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.3 -8.48 14.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.94 0.719 . . . . 62.33 112.94 -175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.97 23.2 62.08 Favored Glycine 0 N--CA 1.473 1.157 0 CA-C-O 119.859 -0.412 . . . . 62.13 113.262 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.73 112.25 23.31 Favored Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 109.253 -0.647 . . . . 54.13 109.253 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -58.26 130.76 39.34 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.666 2.244 . . . . 62.2 112.032 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.65 -44.32 49.12 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 124.214 3.276 . . . . 70.14 113.919 -168.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.77 -25.16 48.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.281 -0.872 . . . . 63.41 111.024 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -92.72 20.44 6.45 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.102 0.561 . . . . 73.2 111.48 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' GLN . . . . . 0.438 HE21 HD11 ' B' ' 169' ' ' LEU . 5.0 pt20 -136.59 130.7 32.73 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.466 0.651 . . . . 75.32 110.03 173.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 30.8 mtp-105 -106.89 110.1 22.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.672 1.189 . . . . 64.3 108.906 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -89.95 127.5 36.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.061 -1.089 . . . . 65.41 108.061 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.15 139.46 51.23 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.193 0.597 . . . . 73.13 109.921 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' PHE . . . . . 0.654 ' HB2' HD21 ' B' ' 150' ' ' LEU . 36.9 t80 -142.37 107.09 4.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.148 0.979 . . . . 62.24 109.065 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.86 36.48 27.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.297 0.998 . . . . 65.45 110.615 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.37 6.45 83.9 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.091 -0.959 . . . . 23.01 114.154 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -124.39 126.13 45.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.446 0.698 . . . . 73.14 110.074 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.09 139.48 56.21 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.918 0.487 . . . . 74.02 110.715 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.0 mm? -86.88 105.74 17.27 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.883 0.873 . . . . 55.2 109.193 175.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.67 132.42 44.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.353 1.061 . . . . 74.42 111.236 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -45.65 -57.01 4.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.679 1.591 . . . . 70.05 113.361 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -91.72 27.11 10.3 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.358 -0.837 . . . . 73.53 113.383 -176.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ARG . . . . . 0.452 ' O ' HG12 ' B' ' 123' ' ' ILE . 63.5 ttt180 -113.67 160.6 18.44 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.522 -1.288 . . . . 74.2 107.522 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 12.1 m -103.4 148.43 25.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.358 0.503 . . . . 70.32 112.358 -163.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.6 -44.64 77.18 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.007 0.923 . . . . 60.02 110.567 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.5 t -61.84 -37.37 84.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.134 -0.939 . . . . 74.23 112.066 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.73 -34.27 71.17 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.0 0.813 . . . . 71.24 110.948 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' B' ' 154' ' ' ARG . 91.2 m-85 -92.6 -9.63 40.37 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.371 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.87 50.3 7.02 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.828 0.851 . . . . 71.35 110.648 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' ILE . . . . . 0.434 HG23 ' OG ' ' B' ' 165' ' ' SER . 1.7 mp -62.2 120.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.971 -0.751 . . . . 75.43 108.971 167.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -101.67 173.1 6.57 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.376 0.608 . . . . 71.22 109.803 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 164' ' ' GLU . 16.6 ptmt -62.72 139.07 58.65 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.818 -0.628 . . . . 63.25 109.399 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 164' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' B' ' 163' ' ' LYS . 7.1 pt-20 64.54 15.09 9.4 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.098 1.759 . . . . 63.01 112.745 -176.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 165' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 98.5 p -61.46 121.49 12.82 Favored 'General case' 0 C--N 1.368 1.387 0 CA-C-N 117.862 0.301 . . . . 74.12 110.38 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.56 126.89 35.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.343 0.657 . . . . 63.1 111.204 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 167' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' B' ' 145' ' ' PHE . 0.4 OUTLIER -122.45 131.14 53.72 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.896 -1.52 . . . . 72.34 106.896 175.645 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' C' ' 767' ' ' SER . 16.7 tt -94.1 116.61 35.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 122.184 0.992 . . . . 61.55 109.852 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 169' ' ' LEU . . . . . 0.438 HD11 HE21 ' B' ' 141' ' ' GLN . 44.2 tp -80.51 108.64 14.31 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.789 -1.551 . . . . 73.04 110.096 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.39 158.16 15.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.948 1.299 . . . . 73.1 109.209 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.28 174.46 8.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.492 0.717 . . . . 75.5 110.706 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.3 t -40.86 149.46 0.08 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.043 1.337 . . . . 63.34 113.251 167.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 tm? 77.68 129.72 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.496 1.518 . . . . 73.12 110.082 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.731 1.212 . . . . 74.54 110.254 -173.229 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.893 -0.483 . . . . 63.04 111.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 49.8 m -140.99 121.79 14.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.154 0.982 . . . . 73.31 110.021 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -166.4 164.61 17.39 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.836 1.254 . . . . 71.55 108.451 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 27.9 t 61.52 24.51 14.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.832 0.853 . . . . 62.31 110.626 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -88.91 64.21 7.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.174 0.99 . . . . 61.11 109.618 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 66.6 m -142.75 -38.15 0.36 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.579 -1.191 . . . . 74.55 109.7 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.72 -84.8 0.88 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.477 -0.783 . . . . 30.01 112.201 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 84.1 mtp -106.89 144.06 34.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.642 0.777 . . . . 72.32 110.641 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -84.55 65.59 9.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.057 0.943 . . . . 65.43 108.722 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 47.2 t -166.94 -31.9 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.948 -1.478 . . . . 54.21 110.491 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -95.01 -43.14 8.28 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.092 0.557 . . . . 63.13 111.547 -176.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -89.0 -15.12 34.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.503 0.721 . . . . 74.44 112.74 -168.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.8 -47.25 77.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.996 0.918 . . . . 54.44 112.105 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.74 -44.46 81.71 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.024 0.827 . . . . 73.11 111.497 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -69.32 -49.62 54.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.641 1.176 . . . . 74.21 109.865 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.95 -45.59 94.12 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.27 -1.332 . . . . 50.33 111.692 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.43 -27.65 59.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.098 -0.501 . . . . 60.14 109.706 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.85 -40.41 95.11 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.708 0.63 . . . . 62.51 110.043 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.92 -38.48 86.29 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.442 0.697 . . . . 70.23 110.683 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.08 -35.31 80.18 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.058 0.943 . . . . 74.3 108.876 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.5 -47.15 76.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.159 0.984 . . . . 45.25 109.725 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 754' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 44.3 m-85 -57.58 -35.21 70.08 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 109.559 -0.534 . . . . 71.53 109.559 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 755' ' ' TRP . . . . . 0.481 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 25.6 t-105 -72.98 -37.18 67.13 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.83 -0.623 . . . . 75.5 111.054 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.0 m -59.91 -39.39 85.27 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.496 -0.557 . . . . 43.53 109.496 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -65.63 0.62 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.841 -1.072 . . . . 74.33 110.917 171.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 758' ' ' ILE . . . . . 0.534 HD11 HD21 ' C' ' 777' ' ' LEU . 59.7 mt -60.18 -30.51 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 123.83 0.852 . . . . 70.55 111.915 -172.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -77.19 -48.32 17.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.731 0.412 . . . . 73.22 110.305 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 760' ' ' ALA . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -75.41 -17.73 60.11 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.886 0.474 . . . . 74.23 111.318 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 761' ' ' MET . . . . . 0.402 ' HE2' ' HZ2' ' A' ' 10' ' ' TRP . 20.4 ttt -74.12 -58.76 3.08 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.858 1.263 . . . . 75.34 109.93 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.76 -12.59 60.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.139 0.976 . . . . 61.31 112.323 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 -24.91 63.86 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.888 0.375 . . . . 54.4 110.93 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 764' ' ' ASN . . . . . 0.528 ' HB2' HD11 ' A' ' 71' ' ' LEU . 18.4 t-20 -119.16 -53.5 2.25 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.643 1.177 . . . . 73.21 110.1 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 6.3 tp -82.49 58.13 4.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.753 1.221 . . . . 75.02 108.659 -172.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.87 76.06 6.56 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.46 -1.245 . . . . 53.44 112.638 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 767' ' ' SER . . . . . 0.504 ' HB2' HD13 ' B' ' 168' ' ' ILE . 22.6 m 155.23 123.4 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 127.414 2.285 . . . . 72.23 109.772 162.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.85 155.85 30.41 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.715 0.806 . . . . 73.32 111.723 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 769' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 45.9 t -59.52 148.85 31.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.138 0.575 . . . . 25.12 110.395 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.74 -34.57 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 108.375 -0.972 . . . . 74.24 108.375 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.75 -47.45 82.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.427 0.691 . . . . 73.34 111.306 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 772' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 75.9 mtt85 -59.75 -54.69 43.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.278 0.631 . . . . 73.02 111.248 -178.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 773' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 769' ' ' SER . 0.0 OUTLIER -63.61 -35.95 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.104 0.561 . . . . 74.11 110.715 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 774' ' ' TYR . . . . . 0.614 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 52.2 t80 -59.25 -48.36 81.91 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.297 0.639 . . . . 72.45 110.532 173.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.13 -38.61 89.61 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.9 0.88 . . . . 75.31 110.657 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 84.6 mmm -60.88 -54.18 48.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.271 -0.877 . . . . 62.12 110.626 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 777' ' ' LEU . . . . . 0.534 HD21 HD11 ' C' ' 758' ' ' ILE . 9.2 mp -60.15 -29.86 68.93 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.756 0.822 . . . . 52.42 112.224 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 778' ' ' ARG . . . . . 0.46 ' HD2' HG22 ' C' ' 790' ' ' ILE . 9.2 mmm180 -66.57 -46.51 75.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.588 -0.523 . . . . 73.31 109.588 175.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -50.08 65.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.512 0.725 . . . . 72.44 109.9 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 780' ' ' PHE . . . . . 0.514 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 15.9 m-85 -66.0 -34.46 78.15 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.762 -0.653 . . . . 72.23 111.721 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 781' ' ' VAL . . . . . 0.606 HG11 ' H ' ' C' ' 790' ' ' ILE . 5.3 p -75.9 -37.11 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 111.724 0.268 . . . . 44.25 111.724 -178.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.9 m -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.021 0.378 . . . . 53.32 112.021 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 9.0 p -65.94 -19.4 65.85 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 111.954 0.353 . . . . 62.0 111.954 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.72 15.61 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 110.888 -0.885 . . . . 55.54 110.888 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.44 -41.31 50.17 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 121.855 1.704 . . . . 73.41 111.299 167.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 34.81 -92.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 126.713 2.005 . . . . 42.15 115.37 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.95 17.24 4.18 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.648 1.179 . . . . 71.21 109.593 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.95 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 126.227 1.811 . . . . 72.52 110.414 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.01 111.37 3.92 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.369 -1.345 . . . . 75.31 107.369 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 790' ' ' ILE . . . . . 0.606 ' H ' HG11 ' C' ' 781' ' ' VAL . 12.8 tt -72.21 131.86 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.631 0.772 . . . . 75.2 109.133 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -116.33 164.09 15.04 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.783 -0.644 . . . . 64.04 110.725 -169.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.2 -31.52 70.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.067 0.947 . . . . 74.14 112.326 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -54.16 -57.74 9.98 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.116 0.96 . . . . 55.13 109.724 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.3 -33.46 67.41 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 113.088 -1.869 . . . . 73.13 110.514 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 795' ' ' LEU . . . . . 0.614 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -67.65 -59.43 3.34 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.782 0.833 . . . . 62.31 109.894 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -66.13 -26.88 67.65 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.846 -0.616 . . . . 72.14 110.302 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.24 81.16 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 123.933 0.771 . . . . 32.22 112.36 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 798' ' ' TYR . . . . . 0.481 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 4.4 t80 -66.14 -51.92 53.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.524 0.73 . . . . 71.21 109.385 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.65 -36.41 84.16 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.445 -0.798 . . . . 75.44 111.175 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.02 -50.48 72.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.404 0.682 . . . . 74.1 109.95 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 801' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' C' ' 805' ' ' ASP . 17.1 tptm -57.63 -54.83 42.42 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.382 1.051 . . . . 75.23 110.426 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 802' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' C' ' 808' ' ' LEU . 72.7 mmtt -58.74 -35.68 73.11 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 113.025 0.75 . . . . 73.33 113.025 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.52 -43.93 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.128 0.571 . . . . 64.54 110.287 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -77.13 -8.6 57.78 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.141 0.576 . . . . 74.2 111.814 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 805' ' ' ASP . . . . . 0.453 ' HB2' ' HE2' ' C' ' 801' ' ' LYS . 34.3 t70 -99.11 -8.96 24.45 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.514 1.125 . . . . 62.4 111.377 173.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.62 19.83 11.95 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 125.076 1.35 . . . . 63.35 111.889 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -87.47 -17.83 31.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.466 1.106 . . . . 64.13 110.556 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 808' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' C' ' 815' ' ' TYR . 1.0 OUTLIER -120.94 146.23 46.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.106 0.962 . . . . 73.11 109.853 174.47 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.6 t -105.83 134.3 47.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 125.236 1.415 . . . . 64.21 108.825 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.44 106.69 18.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.713 -1.217 . . . . 75.13 107.713 171.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 811' ' ' SER . . . . . 0.594 ' HB2' HG23 ' C' ' 814' ' ' VAL . 74.0 m -85.94 -145.54 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 N-CA-C 109.046 -0.724 . . . . 73.22 109.046 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.31 75.46 0.73 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.596 0.635 . . . . 70.01 110.876 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.92 19.67 78.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 116.481 -0.327 . . . . 54.32 113.557 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 814' ' ' VAL . . . . . 0.594 HG23 ' HB2' ' C' ' 811' ' ' SER . 18.2 m -134.49 154.8 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.878 0.871 . . . . 70.13 110.551 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 815' ' ' TYR . . . . . 0.423 ' HB3' HD12 ' C' ' 808' ' ' LEU . 24.4 m-85 -104.32 146.87 28.19 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.544 0.738 . . . . 72.42 110.429 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -159.53 157.56 30.18 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.327 1.017 . . . . 72.31 111.138 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 1.3 mp -81.66 125.75 77.47 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 122.481 0.312 . . . . 64.53 111.552 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 818' ' ' PRO . . . . . 0.499 ' HB2' ' HA ' ' C' ' 821' ' ' CYS . 34.2 Cg_endo -66.89 -42.07 9.18 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.714 2.276 . . . . 75.21 112.294 172.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 819' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' C' ' 819' ' ' LYS . 46.6 mtpt 66.17 -71.01 0.09 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 125.684 1.594 . . . . 61.22 112.276 -178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -68.54 -38.48 80.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.93 0.492 . . . . 74.44 110.056 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 821' ' ' CYS . . . . . 0.499 ' HA ' ' HB2' ' C' ' 818' ' ' PRO . 28.6 m 66.24 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 C-N-CA 125.847 1.659 . . . . 75.43 112.177 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.558 1.272 0 C-N-CA 124.332 1.053 . . . . 62.03 111.851 -171.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 110.76 -0.936 . . . . 45.03 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 148.15 48.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.008 0.433 . . . . 74.4 110.112 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.624 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 16.6 mp0 -91.62 161.21 15.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 73.22 110.095 -174.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -138.98 146.61 25.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-O 121.473 0.654 . . . . 73.22 109.323 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 16.0 m-30 -100.95 116.79 33.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.659 -1.237 . . . . 74.32 107.659 172.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.66 ' HB ' HD11 ' B' ' 169' ' ' LEU . 17.3 m -107.14 102.49 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 122.106 0.955 . . . . 72.22 109.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.417 ' HB2' HG22 ' B' ' 168' ' ' ILE . 2.4 m-20 -78.12 102.34 7.46 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.377 -1.283 . . . . 74.35 110.033 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 t -89.14 110.41 21.15 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.726 -0.842 . . . . 50.54 108.726 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.7 43.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 115.199 -0.91 . . . . 72.52 109.826 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HB3' ' HZ3' ' A' ' 11' ' ' LYS . 48.4 mt-30 -118.84 84.15 2.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.418 -0.956 . . . . 63.34 108.418 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HB2' HD11 ' C' ' 765' ' ' LEU . 32.0 t-105 -99.0 103.29 15.23 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 106.383 -1.71 . . . . 62.31 106.383 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' B' ' 171' ' ' LEU . 26.5 pttm -160.54 155.4 24.2 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.248 0.342 . . . . 74.45 111.435 -173.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.43 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 5.5 m -99.4 137.4 37.95 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.803 -0.635 . . . . 74.2 110.242 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.22 158.19 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 107.644 -1.243 . . . . 74.12 107.644 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.0 m -125.55 132.39 52.58 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.658 0.663 . . . . 71.02 109.944 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -136.93 170.93 15.28 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.004 1.322 . . . . 72.25 108.341 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 32.5 tt0 -113.4 159.53 19.36 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.358 -0.608 . . . . 74.23 109.358 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.39 163.42 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.431 0.692 . . . . 73.14 110.798 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -108.87 153.8 42.2 Favored Pre-proline 0 N--CA 1.484 1.251 0 C-N-CA 123.659 0.784 . . . . 75.42 109.783 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.39 -30.57 36.33 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.038 2.492 . . . . 51.25 113.182 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -84.84 -10.17 57.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.071 0.948 . . . . 63.11 111.812 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB3' HD22 ' A' ' 25' ' ' ASN . 2.3 m-20 -71.87 153.93 41.57 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.336 -0.616 . . . . 74.13 109.336 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.28 163.81 20.47 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.222 0.609 . . . . 72.32 110.411 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.6 mm -67.18 -32.97 60.04 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-N 115.015 -0.993 . . . . 60.44 110.699 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -32.79 63.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.769 -1.105 . . . . 74.31 110.327 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.443 HD22 ' HB3' ' A' ' 21' ' ' ASP . 33.7 m-20 -69.52 -39.0 77.79 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.003 0.921 . . . . 65.53 110.783 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 47.4 t -65.39 -51.16 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.48 0.712 . . . . 64.13 109.881 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 38' ' ' PRO . 45.8 pttt -67.49 -33.7 75.63 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.535 -0.757 . . . . 72.21 110.441 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.09 78.09 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.012 0.525 . . . . 62.15 111.931 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 18.9 ptmt -79.99 -32.83 39.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.506 0.322 . . . . 73.33 110.958 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 36' ' ' ILE . 26.4 pt -72.38 -33.1 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.899 -0.408 . . . . 74.31 109.899 172.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.17 -42.76 99.44 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.979 0.512 . . . . 75.2 111.338 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.95 -50.86 53.41 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.79 0.836 . . . . 73.24 110.9 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -78.58 -62.19 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.115 -0.948 . . . . 74.53 111.039 -175.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.14 -13.73 32.45 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.244 0.461 . . . . 61.15 112.244 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.89 31.76 52.22 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 112.119 -0.392 . . . . 72.01 112.119 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 30' ' ' ILE . 96.5 mt -84.42 108.23 13.85 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.143 0.977 . . . . 74.41 109.509 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 73.9 Cg_endo -74.21 115.09 4.2 Favored 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 121.876 1.717 . . . . 73.35 110.537 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 25.4 Cg_endo -60.17 -44.01 31.75 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.691 2.927 . . . . 63.21 115.209 -165.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -85.84 -27.6 24.99 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.85 -0.614 . . . . 65.54 111.154 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -75.38 -28.66 59.59 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.21 1.004 . . . . 62.33 110.878 174.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -125.78 93.66 3.9 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.115 -1.069 . . . . 74.44 108.115 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 42' ' ' ARG . 11.4 ptm180 -76.39 128.84 35.64 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.366 1.466 . . . . 74.23 111.059 -171.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.659 ' HB3' HD11 ' A' ' 67' ' ' LEU . 12.6 mt -97.01 139.47 32.97 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.883 0.873 . . . . 73.51 110.531 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 49' ' ' GLN . 75.1 mt -132.66 118.96 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 109.236 -0.653 . . . . 74.15 109.236 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.692 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.5 t80 -108.11 118.59 37.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.41 108.855 -171.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.81 17.1 4.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.04 0.936 . . . . 52.04 112.694 174.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.508 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.65 26.1 14.01 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 114.27 0.468 . . . . 61.51 114.27 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -141.04 137.61 33.06 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 117.23 0.515 . . . . 72.12 111.286 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 44' ' ' ILE . 76.6 mt-30 -75.1 139.8 43.02 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.878 0.871 . . . . 65.34 110.129 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.879 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.7 mm? -92.75 123.96 36.4 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.991 0.916 . . . . 41.12 111.514 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.65 128.39 38.49 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.079 0.952 . . . . 74.2 110.21 169.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.06 -41.7 60.08 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.565 1.546 . . . . 74.34 113.018 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.66 -12.14 66.73 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 114.518 -1.219 . . . . 75.34 114.532 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.4 163.57 14.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 75.22 109.65 -175.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.2 p -95.78 173.93 7.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.75 0.42 . . . . 72.35 110.278 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.43 -42.92 91.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.292 -0.633 . . . . 61.02 109.292 173.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.4 t -65.53 -25.77 67.59 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 53.12 111.905 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.52 -38.55 69.37 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.829 0.852 . . . . 65.15 111.145 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 3.5 m-85 -99.05 -6.12 29.08 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.661 0.784 . . . . 74.23 109.692 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.65 63.48 1.67 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.729 1.212 . . . . 75.12 110.654 -172.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.8 mp -67.75 99.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 108.636 -0.875 . . . . 72.35 108.636 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.0 -172.89 3.3 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.276 -0.875 . . . . 61.14 109.132 170.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.7 ttpp -93.38 150.56 20.37 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.8 -0.563 . . . . 73.55 110.968 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 61.94 21.19 12.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.885 1.674 . . . . 71.3 111.855 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -71.38 151.34 44.18 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.19 0.596 . . . . 50.21 111.417 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.38 132.06 54.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.412 0.625 . . . . 71.32 111.533 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' ' 43' ' ' LEU . 59.2 tp -113.3 135.93 53.31 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.583 1.553 . . . . 75.2 107.706 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.5 tp -98.39 137.46 25.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 109.123 -0.695 . . . . 53.44 109.123 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 HG22 ' B' ' 107' ' ' THR . 11.2 mp -107.48 111.0 23.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.378 -0.828 . . . . 72.42 109.11 174.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 mt -101.61 125.85 48.33 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.237 -1.023 . . . . 71.5 108.237 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' HG ' HG13 ' B' ' 108' ' ' VAL . 48.7 mt -70.9 169.3 15.06 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 119.008 0.822 . . . . 70.41 111.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -38.42 110.33 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.206 1.402 . . . . 72.12 113.063 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' C' ' 760' ' ' ALA . 31.4 tp -103.07 -65.04 1.02 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.018 0.927 . . . . 74.33 109.211 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.256 1.42 0 CA-C-N 114.515 -1.221 . . . . 63.24 107.97 -172.433 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 CA-C-O 120.261 -0.188 . . . . 62.3 113.072 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.522 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -102.71 145.48 29.63 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.906 0.482 . . . . 62.41 109.777 -175.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 12.5 mp0 -104.81 128.64 53.04 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.049 -0.723 . . . . 75.42 109.049 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.1 pt -119.22 167.35 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.08 0.552 . . . . 73.54 110.935 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.0 m-85 -116.06 125.56 52.59 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.124 0.97 . . . . 73.51 108.59 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.557 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -111.64 115.18 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.584 0.629 . . . . 73.33 109.46 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 68' ' ' ILE . 8.5 t70 -90.3 103.67 16.32 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.214 -0.662 . . . . 61.11 109.214 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.712 HG22 HD22 ' A' ' 69' ' ' LEU . 61.1 p -92.62 135.97 33.63 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 125.138 1.375 . . . . 75.13 112.639 -171.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 71' ' ' LEU . 2.4 p -112.34 124.56 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.352 1.061 . . . . 41.31 109.238 163.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -138.3 101.5 4.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.973 0.909 . . . . 75.33 109.0 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -106.91 134.64 49.75 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.852 0.861 . . . . 70.45 109.057 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -144.26 138.8 28.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.223 1.009 . . . . 73.11 109.392 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -101.77 118.98 38.04 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.542 0.737 . . . . 73.23 109.238 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 20.3 mt -94.43 158.57 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 108.606 -0.887 . . . . 73.01 108.606 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.7 m -131.28 122.27 26.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.16 -0.682 . . . . 71.01 109.16 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.97 170.33 14.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.42 -0.955 . . . . 64.31 108.42 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 40.1 tt0 -117.92 144.73 45.22 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.738 -0.838 . . . . 74.12 108.738 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.2 167.1 20.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 123.361 0.665 . . . . 74.54 109.333 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -106.63 150.8 40.07 Favored Pre-proline 0 N--CA 1.47 0.569 0 N-CA-C 109.308 -0.627 . . . . 71.24 109.308 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -66.13 -28.4 48.68 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.467 2.111 . . . . 71.44 111.462 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.9 m -80.96 -15.29 56.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.184 -0.916 . . . . 75.35 112.073 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.0 159.73 27.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.931 0.396 . . . . 75.12 110.881 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -85.21 163.15 18.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.386 -0.824 . . . . 73.24 110.527 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 45.8 mm -68.43 -28.56 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.397 -0.82 . . . . 71.01 110.587 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.42 66.01 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.134 0.574 . . . . 71.32 111.696 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.4 t-20 -64.6 -54.75 27.03 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.651 0.781 . . . . 45.2 109.377 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.01 -40.33 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.737 0.815 . . . . 73.4 110.59 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' B' ' 138' ' ' PRO . 20.4 ttmt -54.53 -55.09 32.81 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.686 -1.143 . . . . 73.54 110.495 174.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.21 71.09 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.357 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 29.1 mmtp -65.59 -57.87 7.12 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.981 -0.533 . . . . 64.13 110.904 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.6 pt -60.37 -35.35 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 CA-C-O 121.268 0.556 . . . . 72.34 111.132 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 8.8 tt0 -72.3 -28.51 63.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.696 1.199 . . . . 63.0 111.559 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.79 -48.94 12.75 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.804 0.442 . . . . 63.43 110.322 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 75.1 mmtt -60.29 -61.51 2.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.159 -0.928 . . . . 72.41 111.514 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' B' ' 136' ' ' ILE . 29.7 mt-10 -117.45 6.88 12.63 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.079 0.399 . . . . 73.32 112.079 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 67.55 25.97 73.77 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-O 119.467 -0.629 . . . . 42.33 112.523 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.476 HD12 ' HB ' ' B' ' 130' ' ' ILE . 55.5 mt -68.29 106.34 1.31 Allowed Pre-proline 0 C--N 1.361 1.069 0 N-CA-C 108.843 -0.799 . . . . 71.3 108.843 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 136' ' ' ILE . 1.1 Cg_endo -82.19 121.81 3.59 Favored 'Trans proline' 0 C--N 1.368 1.572 0 C-N-CA 122.418 2.079 . . . . 70.14 110.146 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.434 ' HB3' ' HG3' ' B' ' 127' ' ' LYS . 34.5 Cg_endo -59.22 -39.37 79.12 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.809 2.339 . . . . 73.34 112.448 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.85 -29.49 69.41 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.453 -1.249 . . . . 74.44 111.415 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -20.56 19.13 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.671 0.789 . . . . 72.14 110.81 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -153.21 97.57 2.18 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.934 -0.765 . . . . 75.23 108.934 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.36 144.17 28.2 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.14 0.576 . . . . 74.3 110.278 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' B' ' 169' ' ' LEU . 3.2 mp -83.48 146.58 28.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.777 0.431 . . . . 74.25 110.262 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -125.02 144.31 50.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.883 0.873 . . . . 63.21 109.599 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' B' ' 150' ' ' LEU . 11.3 t80 -141.46 104.51 4.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.663 1.185 . . . . 54.5 108.561 -176.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 55.81 27.63 11.17 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.365 1.066 . . . . 60.32 112.052 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.38 17.66 45.22 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 116.422 -0.354 . . . . 60.1 113.484 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -133.27 133.68 42.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.215 0.606 . . . . 73.32 110.832 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.85 135.18 38.87 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.413 0.685 . . . . 71.35 109.388 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.2 mm? -81.02 105.57 12.34 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.423 -0.954 . . . . 75.22 108.423 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.681 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 32.9 mt-10 -75.68 128.06 34.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.835 -1.172 . . . . 74.15 107.835 174.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.8 p-10 -65.29 -25.34 67.59 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.817 0.673 . . . . 75.2 112.817 -169.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -73.62 -10.58 79.86 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.35 -0.841 . . . . 51.31 113.933 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.681 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 21.8 mmm180 -85.74 177.81 7.55 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.366 0.583 . . . . 72.12 109.94 -177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' B' ' 158' ' ' ASP . 26.1 m -110.97 158.1 19.16 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.728 0.811 . . . . 73.21 109.375 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.409 HD22 HD13 ' B' ' 123' ' ' ILE . 4.0 mm? -63.3 -46.47 86.57 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.959 0.409 . . . . 60.21 110.186 176.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.5 t -64.24 -27.61 69.17 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.083 -0.508 . . . . 75.55 111.822 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' B' ' 155' ' ' THR . 15.6 t70 -58.58 -31.86 68.42 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.602 0.761 . . . . 65.53 111.36 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.4 ' HE2' ' HB2' ' B' ' 154' ' ' ARG . 89.0 m-85 -96.79 -6.92 35.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.131 0.572 . . . . 65.23 111.396 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.68 57.06 5.02 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.046 0.939 . . . . 72.52 109.353 -174.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 6.2 mm -70.41 126.6 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.576 -1.193 . . . . 73.44 110.083 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -94.81 158.27 15.57 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 121.32 0.581 . . . . 73.1 110.519 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.48 136.29 56.91 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 116.019 -0.537 . . . . 72.11 109.625 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 67.88 19.85 9.41 Favored 'General case' 0 CA--C 1.553 1.088 0 O-C-N 124.884 1.365 . . . . 72.15 111.572 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 13.7 t -60.69 129.02 39.45 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 123.179 0.592 . . . . 64.44 111.79 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.95 41.73 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.106 0.563 . . . . 61.43 111.497 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.32 128.77 38.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.534 1.134 . . . . 74.13 108.159 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.417 HG22 ' HB2' ' A' ' 6' ' ' ASP . 29.5 pt -101.39 119.04 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-O 121.517 0.675 . . . . 64.11 110.326 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.66 HD11 ' HB ' ' A' ' 5' ' ' VAL . 5.7 mp -77.07 112.6 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.967 0.507 . . . . 72.03 110.221 176.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.3 156.97 16.1 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.56 -0.904 . . . . 72.53 108.56 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 11' ' ' LYS . 6.8 mp -67.53 163.33 21.35 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.759 -0.46 . . . . 73.12 109.759 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.562 1.438 0 N-CA-C 113.849 1.055 . . . . 72.35 113.849 -172.8 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.61 0.596 . . . . 72.43 112.61 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.32 -60.0 4.01 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.033 0.833 . . . . 43.33 110.693 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 11.5 pt20 -55.39 -45.3 76.61 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 124.346 1.029 . . . . 74.42 110.162 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 43.3 mtpt -61.47 -56.23 22.39 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 124.264 0.977 . . . . 64.11 111.049 -172.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.11 -45.63 68.37 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.411 1.069 . . . . 64.4 110.857 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.91 -30.77 68.27 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.092 0.87 . . . . 64.23 111.626 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' C' ' 786' ' ' ALA . 72.8 mt-10 -69.59 -46.73 65.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.957 0.903 . . . . 74.34 109.046 177.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 17.0 mt -69.83 -33.39 72.24 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.033 0.833 . . . . 63.25 110.38 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.43 -37.34 74.38 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.472 -0.936 . . . . 74.2 108.472 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.73 -44.37 97.04 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.806 0.691 . . . . 70.25 110.351 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.602 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 20.9 m-85 -61.35 -37.56 83.77 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 74.53 110.628 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.514 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 36.7 t-105 -75.42 -25.83 57.85 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 114.743 -1.117 . . . . 63.34 110.563 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 90.8 m -68.03 -36.32 79.73 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.073 -0.714 . . . . 44.23 109.073 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.602 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 47.1 m-85 -62.13 -66.33 0.55 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 123.582 0.552 . . . . 73.34 109.781 171.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.439 HD11 HD11 ' C' ' 777' ' ' LEU . 37.8 mt -66.18 -33.67 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 O-C-N 124.173 0.921 . . . . 34.31 112.147 -166.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.01 -58.65 5.04 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.244 -0.65 . . . . 74.13 109.244 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 73' ' ' LEU . . . -64.37 -27.81 69.27 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.672 0.789 . . . . 74.4 112.049 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.468 ' SD ' HG22 ' C' ' 773' ' ' ILE . 26.1 ttt -66.8 -58.85 4.23 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 114.37 -1.286 . . . . 72.34 108.207 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 3.5 mm? -71.41 -14.72 62.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 113.551 0.945 . . . . 54.13 113.551 -178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 69.2 m -61.51 -25.75 67.47 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.509 0.723 . . . . 71.24 111.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -130.05 -46.67 1.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.56 0.744 . . . . 71.43 109.798 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.565 HD23 HD23 ' C' ' 768' ' ' LEU . 8.4 tp -87.63 57.77 4.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.58 1.552 . . . . 51.23 108.454 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.82 59.08 3.02 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.329 1.051 . . . . 55.21 113.469 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 16.0 m 173.9 105.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.937 1.695 . . . . 74.11 108.665 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.595 HD11 HD21 ' C' ' 762' ' ' LEU . 1.7 pp -163.86 143.94 8.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.854 0.462 . . . . 54.32 111.252 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.4 m -65.47 152.69 43.36 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 123.115 0.566 . . . . 50.05 110.472 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.75 -39.25 65.18 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.863 0.727 . . . . 70.23 109.126 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.31 -30.66 68.51 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.628 0.771 . . . . 73.14 112.833 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -69.63 -57.31 5.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.578 0.351 . . . . 62.23 110.335 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.468 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.7 pp -67.86 -24.15 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.779 -0.646 . . . . 70.13 111.053 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' C' ' 795' ' ' LEU . 21.5 t80 -66.21 -49.13 68.34 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.986 -0.746 . . . . 73.52 108.986 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.81 -40.5 92.94 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.156 0.91 . . . . 71.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -52.7 43.04 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.727 0.642 . . . . 74.42 111.452 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.543 ' HB2' HD11 ' C' ' 795' ' ' LEU . 8.4 mt -57.84 -40.12 79.31 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 123.019 0.199 . . . . 72.51 110.495 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.454 ' HA ' HG12 ' C' ' 781' ' ' VAL . 38.5 ttt-85 -69.96 -36.68 75.42 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.95 0.781 . . . . 74.34 111.093 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.5 -55.85 27.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.338 0.655 . . . . 70.15 109.583 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -78.06 -9.29 59.07 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.889 -0.596 . . . . 70.41 112.487 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 790' ' ' ILE . 0.5 OUTLIER -87.57 -36.25 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 110.196 -0.298 . . . . 72.41 110.196 173.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.71 -31.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 119.688 -0.196 . . . . 72.4 111.373 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 15.0 p -63.41 -29.1 70.45 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.898 0.38 . . . . 74.22 111.829 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -120.76 -172.85 14.69 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.5 -0.773 . . . . 74.1 111.831 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -85.04 15.05 2.3 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.194 2.596 . . . . 62.1 113.275 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.453 ' O ' HG22 ' C' ' 781' ' ' VAL . . . -49.96 106.08 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.47 1.108 . . . . 71.44 112.219 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . 0.472 HD22 HG22 ' C' ' 790' ' ' ILE . 5.7 mp 55.3 13.64 0.92 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.356 1.462 . . . . 43.34 113.831 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.47 36.98 28.23 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.642 0.777 . . . . 72.53 111.11 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 75.46 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.551 1.94 . . . . 74.13 111.481 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.521 HG12 HG11 ' C' ' 781' ' ' VAL . 6.0 pt -71.51 -171.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.062 1.345 . . . . 74.15 111.884 175.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -139.33 172.07 13.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.346 1.058 . . . . 73.33 109.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -61.12 2.17 Favored 'General case' 0 C--O 1.206 -1.213 0 C-N-CA 125.037 1.335 . . . . 62.15 110.464 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -32.91 64.48 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.934 0.771 . . . . 55.02 111.474 -173.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.87 -52.27 26.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.627 0.771 . . . . 62.44 110.492 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' C' ' 777' ' ' LEU . 1.6 tt -74.21 -52.06 13.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 122.919 0.488 . . . . 63.34 110.168 -174.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -52.67 -47.05 67.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.855 0.862 . . . . 60.02 111.371 170.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.64 -27.68 71.36 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.775 0.672 . . . . 54.03 113.737 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 24.8 t80 -66.75 -50.99 60.95 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.595 0.758 . . . . 55.25 109.256 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.414 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.2 mm? -59.6 -44.67 93.31 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.986 0.804 . . . . 63.14 110.939 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 0.7 OUTLIER -56.24 -49.06 75.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.533 1.133 . . . . 73.51 110.261 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.79 -57.55 11.56 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.247 0.967 . . . . 73.21 108.815 175.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -47.56 -43.52 25.3 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.461 0.912 . . . . 64.52 113.461 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 799' ' ' LEU . 95.3 t -66.6 -43.98 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 121.433 0.635 . . . . 72.3 110.467 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 11.2 mpt_? -74.5 -13.09 60.64 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.312 -0.858 . . . . 73.24 112.157 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.54 -9.09 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.192 0.997 . . . . 71.24 110.42 171.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.74 19.24 10.75 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.109 1.364 . . . . 64.25 111.455 -175.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -5.45 56.94 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.828 1.251 . . . . 74.1 111.01 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.53 142.98 50.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.759 0.824 . . . . 71.13 108.812 169.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.4 t -105.64 123.51 60.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 C-N-CA 124.356 1.062 . . . . 74.12 108.201 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.5 107.78 19.57 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.348 -1.353 . . . . 65.22 107.348 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.633 ' HB3' HG13 ' C' ' 814' ' ' VAL . 22.8 t -80.7 -154.67 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 108.754 -0.832 . . . . 75.25 108.754 171.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.22 76.11 0.71 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.075 0.852 . . . . 73.23 111.56 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.84 77.8 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.678 -0.692 . . . . 52.22 112.537 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.7 p -144.65 135.02 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.899 -0.778 . . . . 75.24 108.899 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.82 148.73 22.01 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.4 0.68 . . . . 72.5 112.703 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' C' ' 762' ' ' LEU . 15.6 ptt180 -161.76 150.22 15.36 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.266 -1.334 . . . . 73.42 109.696 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 0.7 OUTLIER -74.65 141.92 76.65 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 111.677 0.251 . . . . 75.45 111.677 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo . . . . . 0 C--N 1.378 2.114 0 C-N-CA 122.828 2.352 . . . . 52.1 110.478 166.047 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.87 -0.492 . . . . 62.31 111.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -100.36 147.13 26.15 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.873 -0.788 . . . . 50.03 108.873 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 17.3 mp0 -92.76 160.31 15.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.997 -0.547 . . . . 52.43 110.351 -171.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 115' ' ' LEU . 13.9 pt -139.99 158.47 26.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 123.983 0.913 . . . . 51.13 108.682 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 22.0 m-85 -119.53 112.68 19.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.577 -1.268 . . . . 72.51 107.577 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.691 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 98.5 t -93.93 91.81 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.476 -1.305 . . . . 54.3 107.476 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.11 95.93 8.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.276 -0.875 . . . . 75.01 110.508 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -91.65 139.42 30.71 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.697 0.399 . . . . 72.31 110.036 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.421 ' HB ' ' HE3' ' B' ' 110' ' ' TRP . 7.7 p -129.72 118.65 45.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.91 -0.774 . . . . 74.23 108.91 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 89.7 mt-30 -103.23 81.99 2.01 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.319 -0.993 . . . . 73.13 108.319 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.605 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 70.3 t-105 -98.56 106.1 18.33 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 107.698 -1.223 . . . . 73.3 107.698 173.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -161.38 139.82 9.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 123.79 0.681 . . . . 72.24 109.711 -171.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 21.1 m -85.3 122.76 29.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.561 0.745 . . . . 74.24 109.678 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.69 151.24 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.577 -0.898 . . . . 74.42 108.577 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.438 HG22 ' CD1' ' B' ' 104' ' ' PHE . 20.7 p -107.82 134.63 50.49 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.844 0.458 . . . . 64.22 110.569 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD21 HG13 ' B' ' 105' ' ' VAL . 1.8 pt? -149.63 172.41 15.1 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.642 0.777 . . . . 74.31 109.319 173.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 30.9 tt0 -121.34 146.8 46.48 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.689 0.396 . . . . 43.01 110.122 171.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 12.1 m -130.78 173.74 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 124.575 1.15 . . . . 50.13 110.955 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.782 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 35.0 mm-40 -110.52 154.89 42.87 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.805 0.842 . . . . 53.4 109.034 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.34 -38.76 19.32 Favored 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 122.159 1.906 . . . . 64.34 112.385 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -89.3 -0.2 57.28 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.85 -0.614 . . . . 64.02 111.475 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.782 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 23.0 t70 -75.76 154.21 36.48 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.541 1.136 . . . . 70.3 107.935 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -91.26 164.68 13.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.989 0.9 . . . . 64.4 111.254 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.74 HG21 ' HB3' ' A' ' 50' ' ' LEU . 22.6 mm -74.52 -19.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 CA-C-N 114.746 -1.115 . . . . 64.32 109.616 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.81 -25.35 67.19 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.817 0.847 . . . . 70.44 110.605 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 45.0 m-80 -69.18 -53.35 20.5 Favored 'General case' 0 C--O 1.205 -1.271 0 N-CA-C 108.532 -0.914 . . . . 72.53 108.532 173.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 17' ' ' VAL . 20.9 t -51.12 -42.27 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.842 0.857 . . . . 73.55 110.867 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.56 -53.91 52.61 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 125.519 1.528 . . . . 73.24 110.929 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.48 63.17 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.943 -1.026 . . . . 65.5 111.7 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 4.4 mptp? -72.69 -54.51 8.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.569 1.148 . . . . 74.54 109.243 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.668 ' HB ' HD12 ' A' ' 36' ' ' ILE . 25.9 pt -68.34 -25.95 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 123.254 0.346 . . . . 71.4 110.869 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.69 -49.61 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.036 0.534 . . . . 72.41 111.087 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.23 -43.07 99.47 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.967 0.889 . . . . 75.14 110.829 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 3.6 mmmp? -82.37 -73.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.763 -1.562 . . . . 64.41 110.926 -174.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.502 ' HB2' HG13 ' A' ' 36' ' ' ILE . 26.6 mm-40 -88.13 -9.57 52.77 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.874 0.47 . . . . 73.42 111.283 -167.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 28.35 54.84 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 116.309 -0.405 . . . . 74.31 113.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.668 HD12 ' HB ' ' A' ' 30' ' ' ILE . 54.6 mt -80.58 113.51 40.28 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.519 0.728 . . . . 72.45 110.053 -176.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 28.1 Cg_endo -62.12 119.4 6.49 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.926 2.417 . . . . 64.31 112.352 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -53.88 -44.97 44.48 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 124.085 3.19 . . . . 74.3 114.027 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.53 -33.66 74.2 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.457 -0.792 . . . . 72.22 111.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 21.6 mt-30 -110.71 18.98 19.1 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.741 0.816 . . . . 74.14 111.927 -169.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.484 HE21 HG22 ' A' ' 36' ' ' ILE . 2.4 pt20 -114.53 150.86 34.27 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.613 -0.514 . . . . 73.15 109.613 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 35.4 mtp85 -132.79 101.03 5.11 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.116 -1.439 . . . . 75.23 107.116 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 21.4 mt -85.56 121.09 27.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 109.334 -0.617 . . . . 64.25 109.334 -172.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mt -129.04 130.7 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 118.207 0.458 . . . . 73.42 111.165 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -111.51 99.94 8.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.941 1.296 . . . . 73.24 109.034 178.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.51 31.56 15.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 123.971 0.795 . . . . 72.24 112.546 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.99 17.06 33.54 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.239 0.855 . . . . 61.32 115.239 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -117.37 141.12 48.71 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.13 0.965 . . . . 73.34 111.271 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 120.67 28.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.902 0.881 . . . . 72.41 110.17 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.74 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -86.96 106.34 17.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.363 0.665 . . . . 74.51 110.623 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.6 118.26 9.26 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.683 -0.858 . . . . 53.31 108.683 162.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 10.2 p-10 -59.78 -33.88 72.29 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.14 0.576 . . . . 65.23 111.767 -175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.1 22.21 16.23 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-O 119.901 -0.388 . . . . 74.31 113.604 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 23' ' ' ILE . 59.3 ttt180 -115.33 171.12 7.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.096 -1.075 . . . . 70.34 108.096 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -100.39 159.24 15.29 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.431 1.014 . . . . 50.21 111.189 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 61' ' ' ILE . 3.7 mm? -61.15 -43.99 98.02 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.011 0.82 . . . . 71.13 109.684 175.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -67.51 -25.91 66.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.881 0.697 . . . . 75.31 112.881 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.75 -18.28 64.19 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.727 0.299 . . . . 72.41 110.436 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.24 -9.43 19.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.022 0.529 . . . . 64.31 111.843 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 59.47 64.49 1.33 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.239 1.016 . . . . 72.01 110.667 -172.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 HD12 ' A' ' 56' ' ' LEU . 1.7 mp -67.44 109.79 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.732 -0.84 . . . . 61.14 108.732 170.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -79.83 164.26 23.75 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.754 -0.832 . . . . 74.44 108.754 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -71.81 143.9 49.34 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 122.253 -0.279 . . . . 70.3 110.289 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.77 29.41 18.01 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.673 1.189 . . . . 74.53 111.907 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -80.72 143.41 32.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.15 0.58 . . . . 74.32 111.077 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.1 106.66 18.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.335 0.654 . . . . 42.15 111.647 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.7 tt -96.77 126.47 41.95 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 106.803 -1.554 . . . . 64.01 106.803 172.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 tt -99.2 131.46 46.43 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 CA-C-N 118.871 0.759 . . . . 73.54 109.623 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.627 HD12 ' HB ' ' B' ' 107' ' ' THR . 62.2 mt -99.73 107.7 19.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.633 -1.167 . . . . 72.14 108.914 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 5.2 mp -94.89 114.63 26.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.634 -1.247 . . . . 74.21 107.634 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.37 168.33 19.42 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 109.385 -0.598 . . . . 74.44 109.385 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -32.4 97.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.093 1.757 . . . . 71.22 113.581 -179.183 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.4 tp -91.87 -90.84 0.17 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.557 -1.275 . . . . 74.22 107.557 171.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.597 -1.26 . . . . 73.12 107.597 175.03 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 111.612 -0.595 . . . . 74.23 111.612 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.47 46.05 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.536 0.735 . . . . 64.31 109.768 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -84.91 164.18 18.52 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.415 -0.811 . . . . 73.44 110.517 -173.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -148.72 156.37 8.17 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 C-N-CA 123.997 0.919 . . . . 60.41 109.858 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.438 ' CD1' HG22 ' A' ' 14' ' ' THR . 18.4 m-30 -116.36 105.79 12.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.413 -1.267 . . . . 72.01 108.693 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 67' ' ' LEU . 27.1 m -99.8 107.99 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 121.877 0.846 . . . . 71.3 111.013 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 46.3 t0 -84.99 100.34 11.59 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.86 0.864 . . . . 61.24 109.917 -173.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.627 ' HB ' HD12 ' A' ' 69' ' ' LEU . 9.6 t -103.1 146.33 28.55 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.506 0.722 . . . . 74.22 112.266 -171.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.605 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.2 p -116.92 128.29 74.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.707 -0.679 . . . . 64.23 110.459 161.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -117.97 93.52 4.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.164 -0.925 . . . . 73.34 109.319 167.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . 0.421 ' HE3' ' HB ' ' A' ' 8' ' ' VAL . 40.3 t-105 -86.06 129.31 34.88 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.378 -0.971 . . . . 70.11 108.378 171.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -144.48 133.7 22.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.651 1.181 . . . . 54.21 108.774 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -97.97 116.19 29.68 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.579 0.751 . . . . 72.25 109.079 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.691 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 31.1 mt -91.61 154.63 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.96 -1.126 . . . . 52.01 107.96 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.0 p -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.542 -0.911 . . . . 60.01 108.542 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 3' ' ' ILE . 3.5 tt -139.87 148.01 41.46 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.477 -1.675 . . . . 63.31 106.477 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.5 tt0 -117.65 125.6 51.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.118 -1.067 . . . . 70.42 108.118 169.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.6 p -132.21 170.94 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 123.109 0.564 . . . . 72.21 109.622 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' B' ' 121' ' ' ASP . 41.6 mt-10 -120.18 147.34 44.58 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.449 0.7 . . . . 75.45 109.606 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.49 -36.41 97.61 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.107 2.538 . . . . 72.43 113.458 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.5 m -79.87 -10.3 59.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.952 -0.567 . . . . 75.41 112.401 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' B' ' 118' ' ' GLU . 3.8 m-20 -81.29 158.63 24.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.361 0.265 . . . . 75.03 110.467 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -87.65 171.54 10.38 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.154 0.982 . . . . 64.42 111.194 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 33.6 mm -78.26 -23.1 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.507 -0.77 . . . . 64.04 110.16 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.07 -25.57 65.49 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.705 0.802 . . . . 73.1 111.619 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 48.9 m-80 -61.33 -56.58 18.87 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.824 0.703 . . . . 62.1 109.552 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.07 -42.19 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.976 0.91 . . . . 62.12 110.657 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -56.44 -53.08 61.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.339 1.056 . . . . 70.32 110.83 174.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.43 74.1 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.393 -0.821 . . . . 32.25 111.338 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.7 mmtp -75.98 -40.8 53.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.04 0.536 . . . . 73.42 111.56 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 31.6 pt -72.36 -29.58 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.157 0.435 . . . . 72.41 110.049 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.24 -38.45 71.96 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.326 0.65 . . . . 63.35 110.864 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.67 -52.15 19.35 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.516 -0.766 . . . . 51.54 110.585 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -81.03 -56.01 4.39 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.839 -1.073 . . . . 63.31 111.214 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.64 -11.2 29.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.852 0.461 . . . . 71.22 110.969 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.31 28.96 67.0 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 123.118 0.262 . . . . 72.34 113.181 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.466 HD13 HD21 ' B' ' 169' ' ' LEU . 78.9 mt -87.75 118.15 69.38 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.797 0.839 . . . . 61.03 110.493 -176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 27.2 Cg_exo -64.9 131.16 28.05 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.49 2.127 . . . . 64.13 111.414 172.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.1 Cg_endo -45.07 -43.72 15.65 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.265 3.31 . . . . 75.12 113.945 173.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.19 -33.01 74.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 114.4 -1.273 . . . . 72.52 111.617 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.769 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 17.0 mt-30 -91.88 -6.34 51.68 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.358 0.663 . . . . 72.03 112.317 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 136.42 33.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.62 1.168 . . . . 75.33 110.695 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 172' ' ' THR . 0.4 OUTLIER -134.05 87.24 2.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.041 0.936 . . . . 74.0 108.935 165.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 5' ' ' VAL . 10.1 mt -81.01 105.13 12.0 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.992 -0.549 . . . . 73.23 109.56 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.61 139.01 35.9 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.683 -0.858 . . . . 63.11 108.683 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.501 ' HB2' HD21 ' B' ' 150' ' ' LEU . 29.9 t80 -131.77 102.34 5.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.425 -0.954 . . . . 72.05 108.425 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 51.76 37.98 21.82 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.082 0.953 . . . . 64.22 111.976 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.28 -16.1 61.69 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-O 119.009 -0.884 . . . . 64.11 114.581 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.3 OUTLIER -107.18 121.99 45.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 118.649 1.225 . . . . 73.1 110.218 178.154 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -75.15 139.27 42.59 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.548 -0.538 . . . . 71.53 109.548 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.625 HD23 ' HB3' ' B' ' 143' ' ' LEU . 2.5 mm? -77.25 114.71 16.35 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.662 0.785 . . . . 65.14 109.116 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 2.7 tm-20 -84.5 130.39 34.76 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.69 -0.856 . . . . 75.51 108.69 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -43.45 -56.95 3.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.922 1.689 . . . . 61.4 113.826 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.04 16.05 53.22 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.016 -0.538 . . . . 42.03 114.092 -174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 6.8 mtt180 -105.88 164.2 12.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.213 1.005 . . . . 70.41 108.752 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 36.9 p -96.36 165.64 12.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.689 0.757 . . . . 74.12 111.53 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.12 -37.32 78.28 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.901 -1.499 . . . . 61.15 109.745 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.3 t -65.07 -37.53 87.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.49 0.716 . . . . 63.35 111.088 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.39 -27.72 68.73 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.94 0.775 . . . . 74.21 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -100.24 -2.98 32.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.611 0.764 . . . . 62.43 111.566 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.93 61.27 3.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.51 1.124 . . . . 72.23 110.23 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.0 116.63 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.125 -0.943 . . . . 73.0 109.543 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -86.16 156.06 20.5 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 121.283 0.564 . . . . 65.22 110.189 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 19.6 ptmt -60.66 139.69 57.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.739 -0.837 . . . . 65.03 108.739 170.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 8.7 pt-20 59.7 23.21 12.04 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.065 1.746 . . . . 64.12 112.575 -175.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 60.6 p -58.38 141.25 51.91 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 111.586 0.217 . . . . 63.3 111.586 170.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.59 118.49 36.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.707 0.403 . . . . 51.2 109.937 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.509 HD23 HD21 ' B' ' 150' ' ' LEU . 0.5 OUTLIER -122.68 126.83 48.37 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.481 -1.674 . . . . 73.32 106.481 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 17.1 pt -91.23 132.8 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.778 -0.823 . . . . 65.34 108.778 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.603 HD13 ' HG ' ' B' ' 143' ' ' LEU . 37.4 tp -105.83 97.43 7.26 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.669 -1.234 . . . . 75.01 107.669 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 16.0 tp -94.93 155.44 16.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.171 -1.377 . . . . 54.33 108.82 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.67 156.27 39.22 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 108.056 -1.09 . . . . 73.54 108.056 171.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.769 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 12.5 t . . . . . 0 CA--C 1.566 1.578 0 CA-C-O 122.569 1.176 . . . . 75.32 113.239 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 119.966 -0.064 . . . . 61.03 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 0.4 OUTLIER -49.74 -63.82 0.99 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.806 1.317 . . . . 73.15 112.061 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.508 ' HG3' ' HG3' ' C' ' 747' ' ' LYS . 8.4 pt20 -54.91 -50.05 69.73 Favored 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.685 1.241 . . . . 73.41 110.778 -173.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' C' ' 746' ' ' GLN . 93.4 mttt -63.33 -47.06 83.79 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.134 0.573 . . . . 63.33 111.13 -173.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -50.77 -56.06 13.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.49 1.119 . . . . 73.13 111.495 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.0 pt-20 -76.16 -32.1 58.89 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.819 -0.628 . . . . 71.13 111.233 -169.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.41 -52.39 47.09 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.533 -0.914 . . . . 73.44 108.533 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.39 -43.93 79.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 124.226 0.954 . . . . 65.54 110.425 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.32 -36.99 85.73 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.974 0.796 . . . . 71.52 110.589 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.82 -40.71 63.14 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.735 0.814 . . . . 72.32 110.339 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.527 ' O ' HG13 ' C' ' 758' ' ' ILE . 38.7 m-85 -59.21 -42.22 90.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.661 0.785 . . . . 64.23 109.342 171.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.478 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 18.1 t-105 -64.84 -38.37 90.75 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.397 -1.274 . . . . 72.25 110.647 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 68.5 m -61.03 -36.56 79.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.249 0.62 . . . . 61.43 110.186 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.52 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 39.7 m-85 -59.45 -57.69 11.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.822 -0.626 . . . . 71.44 110.808 169.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.53 HD11 HD21 ' C' ' 777' ' ' LEU . 10.2 mt -65.88 -24.0 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 123.917 0.761 . . . . 75.51 111.525 -172.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -66.56 -61.68 1.86 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.153 -0.684 . . . . 75.31 109.153 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.403 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -66.82 -25.07 66.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.085 0.554 . . . . 32.03 111.449 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.753 ' SD ' HD22 ' C' ' 765' ' ' LEU . 35.0 tpp -60.77 -59.19 5.78 Favored 'General case' 0 C--O 1.197 -1.691 0 C-N-CA 124.307 1.043 . . . . 75.1 109.168 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.66 HD22 ' HA ' ' C' ' 816' ' ' ARG . 95.5 mt -77.77 -13.18 59.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.353 0.661 . . . . 60.44 112.331 -175.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.4 m -73.48 -21.58 60.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.079 0.951 . . . . 52.11 111.285 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' B' ' 108' ' ' VAL . 50.2 m-80 -121.76 -51.18 2.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.814 0.446 . . . . 73.31 109.892 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.753 HD22 ' SD ' ' C' ' 761' ' ' MET . 10.4 mp -82.94 60.03 5.2 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.501 1.12 . . . . 62.3 109.744 171.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.91 84.47 2.84 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.036 -0.984 . . . . 64.42 109.168 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 69.8 m 127.22 105.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 128.389 2.676 . . . . 70.45 108.703 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.675 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 0.4 OUTLIER -156.83 158.36 36.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 64.02 109.955 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.9 t -70.02 158.06 36.35 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 120.535 0.207 . . . . 62.44 110.796 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.07 -37.67 80.58 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.703 0.801 . . . . 74.2 109.768 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.8 -32.24 67.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.204 0.602 . . . . 73.11 112.145 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 98.3 mtt180 -69.46 -52.15 29.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.937 0.495 . . . . 75.14 110.234 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.423 HD13 HD21 ' C' ' 799' ' ' LEU . 2.8 pp -71.59 -26.02 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 116.681 -0.236 . . . . 75.14 111.399 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.07 -52.08 65.34 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 108.747 -0.834 . . . . 75.35 108.747 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -55.34 -43.85 75.37 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.448 1.093 . . . . 73.53 111.975 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 89.7 mmm -58.82 -61.74 2.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.699 -0.682 . . . . 73.0 110.578 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.532 HD22 HD21 ' C' ' 795' ' ' LEU . 10.4 mp -57.54 -30.02 64.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 115.623 -0.717 . . . . 73.13 112.111 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' C' ' 778' ' ' ARG . 8.1 tpt180 -66.6 -43.41 84.92 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.989 0.805 . . . . 75.32 109.968 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.5 ttp -58.89 -51.38 70.26 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.996 -0.742 . . . . 71.0 108.996 173.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.92 -31.36 71.67 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.688 -0.687 . . . . 72.11 112.563 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.495 HG21 ' H ' ' C' ' 790' ' ' ILE . 1.1 p -84.65 -28.8 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 122.976 0.51 . . . . 62.14 111.057 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.53 -27.97 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.703 0.401 . . . . 74.23 111.813 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 16.9 p -65.22 -25.64 67.77 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.961 0.504 . . . . 72.55 112.107 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.99 -170.22 12.84 Favored Glycine 0 C--O 1.242 0.627 0 N-CA-C 111.407 -0.677 . . . . 74.03 111.407 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -83.04 10.14 3.78 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.349 2.699 . . . . 73.14 111.905 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.07 109.16 0.23 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.736 1.614 . . . . 74.51 112.485 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 46.6 mt 58.78 9.69 1.25 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.835 1.254 . . . . 60.14 113.656 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.36 41.36 31.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.279 1.032 . . . . 61.2 111.752 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 70.59 117.16 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.778 1.631 . . . . 74.42 111.679 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.495 ' H ' HG21 ' C' ' 781' ' ' VAL . 15.7 pt -65.9 164.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.04 0.936 . . . . 72.44 111.71 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -118.73 169.19 10.05 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.711 -1.131 . . . . 75.42 108.858 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.38 -40.62 95.01 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.988 0.915 . . . . 74.24 111.697 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.41 -38.76 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.737 0.415 . . . . 71.11 110.787 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.71 -45.29 71.98 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.89 0.876 . . . . 74.3 110.214 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.532 HD21 HD22 ' C' ' 777' ' ' LEU . 1.9 tm? -74.81 -48.6 24.42 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 114.589 -1.187 . . . . 65.23 110.076 -174.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.93 -44.63 87.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.045 0.938 . . . . 72.22 110.582 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.15 92.28 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.94 0.775 . . . . 61.14 113.35 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 13.1 t80 -62.09 -53.14 59.69 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.223 0.535 . . . . 74.45 110.67 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.3 mm? -58.77 -47.6 84.11 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.941 -1.027 . . . . 74.02 111.26 178.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -51.24 -48.44 62.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.191 1.396 . . . . 72.43 110.909 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -57.89 -53.69 55.32 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 124.282 0.989 . . . . 53.24 110.043 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -58.38 -34.69 71.0 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.782 0.66 . . . . 63.32 112.782 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 799' ' ' LEU . 92.0 t -63.71 -49.64 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 109.189 -0.671 . . . . 71.4 109.189 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -79.44 -5.75 55.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.019 -0.991 . . . . 72.25 112.927 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -94.14 8.44 41.6 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.421 1.089 . . . . 74.01 111.075 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.33 21.28 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.776 1.23 . . . . 74.21 110.829 -175.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -104.74 -26.51 12.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.031 0.932 . . . . 73.21 110.845 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 151.38 48.88 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.14 0.976 . . . . 74.31 109.901 -176.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.08 132.27 63.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.981 0 C-N-CA 124.062 0.945 . . . . 75.34 108.901 168.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.45 129.06 56.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.743 1.217 . . . . 73.35 108.37 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 60.5 p -111.46 -143.78 0.39 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.986 -1.487 . . . . 72.54 106.986 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.76 74.55 1.57 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.966 0.803 . . . . 63.42 111.415 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.27 21.2 79.27 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.875 -0.602 . . . . 24.43 112.24 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.22 131.74 63.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.788 0.835 . . . . 61.33 110.213 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -99.66 149.62 23.12 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.999 0.919 . . . . 75.24 111.848 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.66 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.17 145.43 15.03 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.519 1.137 . . . . 73.23 110.3 172.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.563 ' H ' ' HB3' ' C' ' 762' ' ' LEU . 0.5 OUTLIER -72.05 123.3 89.27 Favored Pre-proline 0 C--O 1.243 0.744 0 N-CA-C 108.528 -0.916 . . . . 75.04 108.528 171.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 C--N 1.376 2.024 0 C-N-CA 123.7 2.934 . . . . 70.22 114.598 -178.643 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 120.399 -0.112 . . . . 61.22 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.63 142.62 45.77 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.907 -0.775 . . . . 72.1 108.907 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -101.88 155.35 18.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.803 -1.09 . . . . 74.43 108.569 -175.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' B' ' 115' ' ' LEU . 19.0 pt -133.94 159.47 42.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.025 0 N-CA-C 109.239 -0.652 . . . . 53.34 109.239 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 18.4 m-85 -108.64 113.17 25.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.679 -1.146 . . . . 71.33 108.108 172.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 60.5 t -90.57 93.57 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 106.504 -1.665 . . . . 72.32 106.504 177.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -97.27 100.32 11.78 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.509 0.671 . . . . 74.14 109.262 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -93.73 142.47 27.32 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.926 -1.033 . . . . 53.54 110.069 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.13 127.05 45.46 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 108.297 -1.001 . . . . 61.12 108.297 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 97.7 mt-30 -109.93 83.4 1.75 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.875 -0.602 . . . . 61.22 109.398 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.75 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 55.9 t-105 -99.36 112.89 24.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.322 1.849 . . . . 62.44 107.06 173.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -160.52 147.96 15.98 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.973 0.795 . . . . 64.11 109.932 -169.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 13.9 m -103.01 121.33 42.33 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.884 -0.598 . . . . 63.31 110.085 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mm -94.36 133.12 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.217 1.007 . . . . 70.11 109.168 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 m -99.29 125.85 45.0 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.155 -0.683 . . . . 70.21 109.155 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -143.24 171.97 13.37 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.875 0.87 . . . . 52.15 108.942 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -106.92 161.52 14.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.447 0.641 . . . . 44.02 110.218 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.49 160.83 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-N 114.129 -1.396 . . . . 72.23 110.835 171.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.98 140.42 21.22 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 124.197 0.999 . . . . 65.13 110.014 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 57.4 Cg_endo -68.57 -24.6 35.61 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.718 2.279 . . . . 61.34 111.925 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -79.28 -20.24 48.53 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.851 1.261 . . . . 60.15 112.464 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.16 165.19 14.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.903 0.382 . . . . 74.15 110.282 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -73.87 154.99 39.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.547 0.739 . . . . 73.32 111.785 171.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 50' ' ' LEU . 51.4 mm -54.17 -27.84 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.137 1.375 . . . . 62.22 111.638 172.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -44.16 -39.73 4.53 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.989 1.716 . . . . 50.13 112.841 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -67.52 -45.3 76.17 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-O 119.242 -0.408 . . . . 72.35 110.684 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG21 HD11 ' A' ' 56' ' ' LEU . 57.3 t -62.58 -51.71 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.732 0.777 . . . . 64.34 109.418 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -57.83 -42.21 83.87 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 112.843 -1.981 . . . . 71.41 111.0 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.88 69.36 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.691 -0.686 . . . . 61.52 111.419 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 92.3 mttt -64.18 -52.68 57.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 70.22 110.153 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 36' ' ' ILE . 11.0 pt -70.98 -28.13 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.736 0.414 . . . . 74.3 111.3 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.06 -36.85 82.95 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.17 0.51 . . . . 74.52 111.085 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -74.56 -46.82 36.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.696 0.798 . . . . 74.42 111.124 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.7 mmtt -81.15 -57.34 3.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.158 -0.928 . . . . 52.43 110.161 -174.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.73 -6.67 45.62 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.921 0.489 . . . . 70.45 112.189 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.52 18.82 77.36 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-O 119.813 -0.437 . . . . 74.22 113.785 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.588 HD11 HG13 ' A' ' 30' ' ' ILE . 2.5 pp -76.55 119.35 77.02 Favored Pre-proline 0 CA--C 1.557 1.23 0 N-CA-C 109.163 -0.68 . . . . 61.51 109.163 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -83.91 107.53 1.32 Allowed 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.84 2.36 . . . . 70.21 110.868 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -48.87 -32.05 21.64 Favored 'Trans proline' 0 N--CA 1.514 2.69 0 C-N-CA 124.604 3.536 . . . . 71.12 114.962 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.05 -45.99 75.32 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.977 -1.01 . . . . 71.25 111.337 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 3.6 pt20 -113.27 16.73 18.99 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.26 1.024 . . . . 63.41 111.221 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.491 HE21 ' HB3' ' A' ' 69' ' ' LEU . 46.6 tp60 -127.23 109.19 11.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.841 -1.17 . . . . 62.22 107.841 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.585 HH22 HG23 ' C' ' 756' ' ' THR . 0.5 OUTLIER -78.07 101.25 6.87 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.384 0.674 . . . . 74.13 109.887 178.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.19 116.88 17.31 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.913 0.885 . . . . 73.22 108.997 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.59 131.55 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.253 -0.647 . . . . 51.23 109.253 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.481 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -123.71 96.75 5.08 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.964 -1.124 . . . . 63.21 107.964 -177.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.36 33.38 23.08 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.783 0.833 . . . . 74.52 111.693 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.1 -4.7 65.36 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 114.62 0.608 . . . . 73.35 114.62 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -99.15 124.36 44.13 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.875 0.838 . . . . 64.31 110.772 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -79.5 124.11 28.18 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.138 -0.69 . . . . 63.22 109.138 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 23' ' ' ILE . 32.5 mt -85.07 119.31 25.33 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.427 0.691 . . . . 55.23 112.016 -171.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.709 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 32.9 tt0 -80.95 134.67 35.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.945 0.898 . . . . 72.13 109.174 173.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.96 -54.05 8.96 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.58 1.552 . . . . 75.12 112.374 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.04 18.2 57.82 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 114.295 -1.321 . . . . 74.3 113.579 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.709 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 3.4 tpt180 -81.16 173.22 12.75 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.172 -1.047 . . . . 74.1 108.172 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.68 151.79 26.44 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.61 -0.885 . . . . 54.54 108.61 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 61' ' ' ILE . 4.1 mm? -62.15 -46.03 90.81 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 109.863 -0.421 . . . . 75.12 109.863 176.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -61.83 -29.3 70.07 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.355 0.502 . . . . 75.41 112.355 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.34 -37.73 65.24 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.986 0.915 . . . . 73.34 111.354 173.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -92.85 -6.34 48.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.827 -0.624 . . . . 73.52 111.303 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.31 55.9 4.77 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 122.407 1.099 . . . . 64.45 109.476 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 56' ' ' LEU . 32.8 mm -70.21 95.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 113.959 -1.473 . . . . 75.45 109.078 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -79.75 166.1 22.11 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.904 -1.044 . . . . 63.4 110.331 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.7 ttmt -65.95 138.52 57.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.314 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 45.9 mt-10 63.61 25.44 14.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.057 1.343 . . . . 71.21 112.595 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -75.93 142.72 41.96 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 122.632 0.373 . . . . 64.11 110.633 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.04 110.72 21.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.426 0.69 . . . . 63.23 111.313 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.17 144.48 26.08 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.298 -1.371 . . . . 75.22 107.298 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HH2' ' A' ' 10' ' ' TRP . 8.1 tp -123.78 127.23 73.72 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 121.445 0.64 . . . . 62.13 109.642 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' HB3' HE21 ' A' ' 41' ' ' GLN . 42.9 mt -100.17 114.41 27.8 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.378 -0.828 . . . . 72.23 110.573 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.24 117.04 33.0 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.283 -1.377 . . . . 65.11 107.283 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.13 173.91 7.02 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 118.552 0.614 . . . . 70.24 110.481 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 27.6 m -35.21 109.32 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.421 1.088 . . . . 62.02 112.975 171.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' C' ' 760' ' ' ALA . 0.0 OUTLIER -135.59 -69.2 0.5 Allowed 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.762 -1.57 . . . . 74.12 106.762 176.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.524 ' HG2' HD13 ' A' ' 73' ' ' LEU . 20.3 mmt85 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.842 -1.072 . . . . 75.13 108.652 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.528 -0.229 . . . . 73.31 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.401 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -87.08 147.9 25.48 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.123 -1.066 . . . . 64.04 108.123 173.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.526 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 3.1 mm-40 -82.01 155.53 25.12 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.525 -0.917 . . . . 72.05 108.525 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -139.79 153.55 23.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 C-N-CA 123.651 0.78 . . . . 70.0 109.954 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.98 103.05 10.54 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.099 -0.955 . . . . 70.31 108.533 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.642 HG23 HD21 ' A' ' 15' ' ' LEU . 53.5 t -99.36 108.29 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 109.913 -0.403 . . . . 70.44 109.913 -176.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 30.6 t0 -82.37 103.49 11.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.327 -0.619 . . . . 75.54 109.327 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.0 t -97.67 146.73 25.04 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.821 1.248 . . . . 52.24 110.539 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.75 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 11.7 p -136.14 126.07 40.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.088 0.471 . . . . 64.25 111.277 166.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -132.5 141.67 48.87 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.118 -0.946 . . . . 73.34 109.026 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -68.28 151.66 46.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.861 -0.792 . . . . 71.23 108.861 168.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -148.34 112.07 5.08 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.177 -0.675 . . . . 75.3 109.177 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -93.8 130.57 39.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.687 0.795 . . . . 52.12 110.428 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 28.6 mt -110.48 160.64 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.43 1.092 . . . . 72.35 108.145 173.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 19.6 p -123.89 127.0 47.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 60.51 109.324 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 HG23 ' B' ' 126' ' ' VAL . 4.3 tt -133.59 150.96 51.62 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.798 -1.556 . . . . 74.12 106.798 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.6 tt0 -119.49 129.15 54.57 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.063 0.847 . . . . 71.03 109.144 168.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -132.81 169.0 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.122 0.569 . . . . 73.5 109.977 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -112.93 156.58 42.48 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 108.958 -0.756 . . . . 71.52 108.958 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -63.8 -27.6 67.79 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.181 1.921 . . . . 41.04 111.296 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -80.37 -9.68 59.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 70.22 112.903 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.439 ' HB3' HD22 ' B' ' 125' ' ' ASN . 8.7 m-20 -77.86 156.65 30.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.621 0.368 . . . . 73.13 110.309 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.4 p -92.83 165.06 13.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.774 0.83 . . . . 75.42 110.84 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.48 ' HA ' HG12 ' B' ' 126' ' ' VAL . 35.2 mm -73.65 -23.14 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 114.604 -1.18 . . . . 72.43 110.612 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.48 -32.58 67.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.66 0.384 . . . . 72.14 110.028 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 62.0 m-20 -68.92 -53.87 18.63 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.159 -0.928 . . . . 65.43 110.328 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' B' ' 123' ' ' ILE . 14.4 p -62.89 -38.05 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.652 0.595 . . . . 63.02 111.177 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 54.4 pttt -70.07 -36.65 75.11 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 121.097 0.475 . . . . 74.12 110.297 176.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.52 61.09 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 119.338 -0.363 . . . . 61.04 111.603 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 73.1 mmtt -76.39 -46.3 27.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.035 0.534 . . . . 73.13 110.104 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.2 pt -66.4 -33.68 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 N-CA-C 109.976 -0.379 . . . . 73.11 109.976 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -66.91 -47.74 70.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.809 0.443 . . . . 52.12 111.978 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.58 -52.36 61.32 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.441 0.696 . . . . 65.3 110.88 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.41 -54.15 5.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.514 -1.221 . . . . 73.45 111.691 -172.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . 0.436 ' HG3' HD13 ' B' ' 113' ' ' ILE . 27.3 mm-40 -95.93 -15.3 22.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.512 -0.313 . . . . 74.32 111.038 -166.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.98 14.63 80.44 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.312 0.382 . . . . 43.42 112.964 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 130' ' ' ILE . 88.0 mt -70.05 124.06 89.98 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 123.919 0.888 . . . . 74.33 109.822 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.646 ' HB2' ' HB2' ' B' ' 140' ' ' GLN . 34.8 Cg_endo -63.07 112.67 1.75 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 121.634 1.556 . . . . 73.42 109.077 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.509 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 56.7 Cg_endo -65.15 -42.01 14.99 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.38 2.72 . . . . 72.33 114.137 -161.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -88.87 -32.23 17.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.545 0.738 . . . . 74.32 111.319 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.762 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 23.6 mt-30 -75.68 -19.57 59.05 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.465 0.478 . . . . 64.44 111.079 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -129.58 86.11 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.563 -1.273 . . . . 74.44 107.563 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -80.82 138.37 36.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.928 -1.487 . . . . 64.33 110.724 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.2 tp -81.29 132.35 35.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.589 0.756 . . . . 72.42 109.765 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -116.81 138.37 51.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.957 0.903 . . . . 72.21 109.347 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 0.9 OUTLIER -118.65 101.78 8.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.336 -0.987 . . . . 63.32 108.336 -176.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.39 26.57 5.49 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.342 0.867 . . . . 73.24 113.342 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.43 36.09 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.326 0.49 . . . . 70.01 114.326 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.2 OUTLIER -137.24 117.91 13.98 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.442 -0.947 . . . . 75.4 108.442 172.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -74.22 155.71 38.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.646 0.26 . . . . 65.14 110.4 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.11 120.46 38.55 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.389 -0.967 . . . . 70.43 108.389 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.08 128.34 35.42 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.942 -0.762 . . . . 73.24 108.942 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.306 0.642 . . . . 75.41 112.124 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.41 15.26 63.65 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.69 -0.506 . . . . 43.4 113.5 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -105.35 176.95 4.99 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 117.5 0.65 . . . . 63.03 109.916 -177.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 19.9 m -108.84 156.61 19.46 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.596 0.759 . . . . 71.5 110.096 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.31 -42.13 96.48 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.807 0.843 . . . . 74.3 110.378 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -63.14 -31.39 72.53 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.187 0.595 . . . . 65.44 112.05 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.37 -31.1 63.49 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 73.54 111.538 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -102.06 -7.79 22.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.38 0.672 . . . . 75.31 111.666 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.71 53.88 11.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.225 1.01 . . . . 60.21 110.272 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' B' ' 145' ' ' PHE . 5.4 mm -59.19 124.68 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.581 1.152 . . . . 73.11 110.437 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -92.94 156.34 16.99 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.947 0.88 . . . . 71.31 111.67 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -65.65 141.58 58.34 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 114.651 -1.159 . . . . 62.12 109.186 173.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 58.32 24.41 11.56 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.992 1.317 . . . . 51.54 112.358 -172.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.7 t -62.23 119.12 8.4 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-N 118.083 0.401 . . . . 50.0 110.684 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -92.75 100.44 12.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.057 0.543 . . . . 72.22 109.894 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.13 144.6 25.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.749 0.82 . . . . 65.35 109.19 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 14.9 tt -99.89 120.67 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.977 -0.749 . . . . 71.34 108.977 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 35.9 tp -74.13 130.29 39.49 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.254 -0.647 . . . . 63.22 109.254 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.02 157.15 31.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.108 0.963 . . . . 74.53 110.116 -173.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.37 163.55 27.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.861 0.864 . . . . 75.14 110.498 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.762 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 3.8 t . . . . . 0 N--CA 1.479 0.997 0 C-N-CA 124.576 1.15 . . . . 73.44 112.055 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 112.836 0.68 . . . . 62.51 112.836 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.14 -39.63 94.42 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.311 1.044 . . . . 73.13 111.273 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.21 -37.54 55.3 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.007 0.817 . . . . 74.31 111.735 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 47.6 mtmt -71.0 -58.3 3.7 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 123.723 0.809 . . . . 62.2 111.623 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.65 -46.07 14.39 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 124.741 1.276 . . . . 72.34 112.142 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -80.17 -23.59 40.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.967 -0.56 . . . . 73.12 110.494 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.92 -39.81 79.42 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.518 -0.549 . . . . 73.41 109.518 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.82 -41.26 95.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.227 1.011 . . . . 74.21 109.742 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.43 -36.92 82.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.472 -0.785 . . . . 71.45 109.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.05 -40.21 87.09 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.531 0.732 . . . . 54.52 110.229 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -61.4 -42.65 99.07 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.53 -0.759 . . . . 61.11 110.683 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -71.25 -27.14 63.24 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 114.846 -1.07 . . . . 75.44 110.324 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . 0.585 HG23 HH22 ' A' ' 42' ' ' ARG . 81.7 m -66.36 -37.43 85.28 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.568 -0.53 . . . . 73.14 109.568 172.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -64.08 -59.55 4.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 119.667 -0.206 . . . . 75.01 110.775 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.576 HG22 HD12 ' C' ' 762' ' ' LEU . 32.2 mt -61.99 -45.29 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 124.134 0.896 . . . . 61.33 110.533 -173.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.09 -42.74 84.12 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 119.116 -0.468 . . . . 63.12 110.842 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.568 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -72.2 -36.64 69.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.311 0.485 . . . . 42.12 112.311 -175.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.406 ' HE3' ' CZ2' ' A' ' 10' ' ' TRP . 23.8 ptm -66.96 -41.13 87.43 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 107.995 -1.113 . . . . 54.12 107.995 171.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.676 HD13 HD21 ' C' ' 808' ' ' LEU . 20.5 mt -68.62 -13.6 62.46 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.562 0.745 . . . . 64.25 112.921 173.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 95.1 m -75.49 -15.96 60.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.248 0.619 . . . . 71.2 110.675 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -120.92 -60.43 1.65 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 62.44 110.154 175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -91.66 75.36 5.81 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 107.325 -1.361 . . . . 55.14 107.325 172.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.63 28.67 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.814 1.042 . . . . 74.23 113.814 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 23.2 m -158.51 123.87 4.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.502 1.521 . . . . 51.4 107.123 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.602 HD21 ' HG ' ' C' ' 762' ' ' LEU . 0.8 OUTLIER -157.98 149.68 21.67 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.013 0.369 . . . . 71.11 111.859 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 43.6 m -74.56 150.48 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.226 0.536 . . . . 71.01 110.455 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.412 ' O ' HD12 ' C' ' 770' ' ' LEU . 1.8 tp -66.86 -43.24 84.1 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.955 1.302 . . . . 54.01 112.332 -174.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.87 -36.39 48.37 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.201 0.6 . . . . 72.23 111.681 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -57.59 -61.66 2.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.158 0.983 . . . . 61.33 111.115 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.636 HD11 HD11 ' C' ' 799' ' ' LEU . 2.5 pp -72.15 -25.33 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.044 -0.98 . . . . 71.34 110.937 -172.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.441 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 72.6 t80 -62.39 -55.39 28.37 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 109.451 -0.574 . . . . 63.03 109.451 171.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -65.05 -30.16 71.1 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 123.63 0.581 . . . . 74.04 112.181 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 83.2 mtp -64.77 -59.08 4.63 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.434 0.294 . . . . 71.13 110.245 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.404 HD22 HD21 ' C' ' 795' ' ' LEU . 10.6 mp -58.52 -35.69 72.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.363 0.665 . . . . 55.32 111.801 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.68 -47.44 81.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.023 -0.99 . . . . 74.51 109.767 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -54.43 -55.91 24.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.364 0.665 . . . . 75.34 110.38 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.34 -23.08 66.91 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.342 0.868 . . . . 71.24 113.342 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.595 HG11 HG12 ' C' ' 790' ' ' ILE . 7.6 p -83.41 -38.64 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 118.84 0.746 . . . . 74.11 111.836 175.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.37 -22.11 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 112.592 0.59 . . . . 51.22 112.592 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 7.1 p -63.34 -19.15 64.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 112.216 0.45 . . . . 75.53 112.216 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -141.38 -171.51 12.76 Favored Glycine 0 N--CA 1.466 0.666 0 O-C-N 123.67 0.606 . . . . 62.15 111.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.27 -33.57 38.67 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.691 2.261 . . . . 74.11 111.734 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 29.65 -89.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.452 2.301 . . . . 42.52 114.723 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 -0.87 6.78 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.355 1.062 . . . . 72.05 111.177 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.31 64.31 0.97 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.747 1.219 . . . . 32.53 109.846 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 69.12 117.97 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.204 1.401 . . . . 73.43 111.644 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.651 HD12 HD23 ' C' ' 795' ' ' LEU . 26.3 pt -84.8 155.42 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.168 -1.049 . . . . 62.53 108.168 164.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -126.03 163.31 23.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.44 -0.578 . . . . 71.05 109.44 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.8 -43.35 76.77 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 124.188 0.995 . . . . 74.2 112.124 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' C' ' 794' ' ' GLU . 10.5 pt20 -48.18 -45.05 33.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 73.12 110.861 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' C' ' 793' ' ' GLN . 7.2 tp10 -86.4 -28.69 23.42 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.271 -1.331 . . . . 72.34 110.637 -173.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.651 HD23 HD12 ' C' ' 790' ' ' ILE . 1.2 tm? -81.77 -57.21 3.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.37 1.068 . . . . 60.43 109.849 -176.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -52.9 -46.47 68.01 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.239 1.016 . . . . 73.15 109.607 167.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' C' ' 801' ' ' LYS . . . -53.02 -44.68 62.36 Favored Glycine 0 C--N 1.355 1.63 0 O-C-N 124.481 1.113 . . . . 54.05 114.546 171.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -47.09 87.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.921 0.888 . . . . 74.41 110.677 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.636 HD11 HD11 ' C' ' 773' ' ' ILE . 16.9 mt -69.44 -46.13 67.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.17 -1.377 . . . . 74.45 112.531 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.7 -31.53 72.8 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.886 -0.783 . . . . 75.14 108.886 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 797' ' ' GLY . 0.1 OUTLIER -62.09 -52.81 62.4 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 107.861 -1.163 . . . . 64.23 107.861 174.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -56.14 -37.57 69.67 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.634 0.584 . . . . 74.24 112.349 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.42 HG23 ' O ' ' C' ' 799' ' ' LEU . 93.8 t -63.39 -45.49 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 122.989 0.516 . . . . 45.34 110.745 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -79.78 -9.2 59.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.385 0.674 . . . . 73.12 112.133 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -100.79 10.38 41.21 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.737 0.815 . . . . 71.32 110.312 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 61.46 12.8 4.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.54 1.536 . . . . 73.2 113.014 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . 0.43 ' O ' ' HD2' ' C' ' 818' ' ' PRO . 17.8 mm100 -78.64 -38.96 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.565 0.746 . . . . 75.43 109.472 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.676 HD21 HD13 ' C' ' 762' ' ' LEU . 28.3 mt -126.92 157.44 39.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.106 0.962 . . . . 54.35 111.033 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . 0.462 HG12 ' HD3' ' C' ' 818' ' ' PRO . 5.1 p -128.99 131.77 67.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 107.438 -1.319 . . . . 63.2 107.438 171.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.46 109.6 21.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.345 -0.983 . . . . 74.44 108.345 -176.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.528 ' HB3' HG22 ' C' ' 814' ' ' VAL . 27.5 t -85.68 -145.27 0.1 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.381 -0.97 . . . . 61.02 108.381 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.69 75.46 1.11 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.367 0.985 . . . . 65.31 110.685 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.7 14.36 75.28 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 116.358 -0.383 . . . . 52.32 113.897 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' C' ' 811' ' ' SER . 10.4 m -123.49 151.59 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.148 -0.686 . . . . 73.11 109.148 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 135.3 41.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.237 -0.653 . . . . 74.12 109.237 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.411 ' HB2' HG13 ' C' ' 809' ' ' VAL . 86.8 mtt180 -125.96 137.09 53.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.682 -1.145 . . . . 74.4 108.457 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.674 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 10.3 tp -88.4 106.32 12.17 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.983 -1.117 . . . . 71.33 107.983 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . 0.462 ' HD3' HG12 ' C' ' 809' ' ' VAL . 33.1 Cg_endo . . . . . 0 C--N 1.383 2.364 0 C-N-CA 122.762 2.308 . . . . 63.53 112.215 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.702 -0.159 . . . . 53.53 112.702 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.82 -176.13 5.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.076 0.941 . . . . 45.33 109.805 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.472 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -122.5 161.14 24.17 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.608 -1.633 . . . . 75.44 108.011 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.483 HG23 HD13 ' B' ' 167' ' ' LEU . 60.8 mt -134.34 145.55 32.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.124 -0.695 . . . . 73.42 109.124 177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CD1' HG22 ' B' ' 114' ' ' THR . 9.3 m-30 -102.87 101.81 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 106.94 -1.504 . . . . 74.41 106.94 169.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.68 HG13 HD21 ' B' ' 143' ' ' LEU . 86.1 t -91.76 96.36 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 108.548 -0.908 . . . . 54.4 108.548 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -79.42 96.48 6.06 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.358 -0.608 . . . . 71.55 109.358 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -88.7 106.12 18.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.763 0.792 . . . . 72.13 109.11 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' B' ' 110' ' ' TRP . 5.0 p -95.38 137.68 22.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 115.169 -0.923 . . . . 74.03 109.624 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -140.17 143.62 36.21 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 123.899 0.879 . . . . 31.45 109.817 -170.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.613 ' HH2' ' SD ' ' C' ' 776' ' ' MET . 0.1 OUTLIER -112.67 124.76 53.28 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.079 -1.082 . . . . 73.14 108.079 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.07 113.23 14.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.645 0.778 . . . . 64.01 110.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 19.9 m -77.59 104.17 7.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.242 -0.651 . . . . 55.23 109.242 172.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 10.3 mt -90.8 150.85 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 108.769 -0.826 . . . . 64.12 108.769 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -107.55 121.14 44.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.887 -1.153 . . . . 74.31 107.887 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD21 HG23 ' B' ' 105' ' ' VAL . 1.1 pt? -135.52 164.5 27.68 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.503 0.721 . . . . 74.45 109.111 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.53 147.48 35.27 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.442 0.697 . . . . 72.12 109.956 173.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.39 163.05 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.236 -0.893 . . . . 70.5 110.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -108.01 151.53 41.33 Favored Pre-proline 0 N--CA 1.485 1.308 0 C-N-CA 123.553 0.741 . . . . 73.51 110.13 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.29 -29.48 46.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.679 2.252 . . . . 52.41 111.872 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -84.55 -9.94 57.87 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.71 1.204 . . . . 73.22 111.714 -175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -72.38 152.62 41.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 109.767 -0.457 . . . . 71.42 109.767 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -76.95 157.8 31.06 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.591 0.71 . . . . 51.35 110.253 167.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.687 HG21 ' HB3' ' A' ' 50' ' ' LEU . 42.8 mm -67.14 -26.59 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 114.881 -1.054 . . . . 71.23 109.242 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 36.4 tt0 -49.02 -43.97 40.94 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.574 1.149 . . . . 74.1 111.177 170.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -57.08 -52.26 65.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.158 0.911 . . . . 73.41 111.111 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.97 -47.77 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.809 0.843 . . . . 75.13 111.435 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HA ' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -72.44 -29.73 63.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.845 0.458 . . . . 73.15 111.189 -177.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.08 78.57 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.573 0.349 . . . . 24.44 110.776 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -80.08 -35.9 36.29 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.749 0.648 . . . . 74.22 112.749 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 27' ' ' LYS . 2.9 pp -68.69 -32.8 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 119.543 1.065 . . . . 53.23 109.269 172.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.92 -43.13 89.04 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.086 -0.506 . . . . 70.25 110.566 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.67 -49.29 69.11 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.264 1.026 . . . . 54.21 111.5 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.77 -60.03 2.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.105 -0.952 . . . . 70.15 110.534 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' HD11 ' A' ' 36' ' ' ILE . 5.2 tp10 -87.49 -30.45 20.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.808 0.443 . . . . 72.45 111.636 -169.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.26 25.58 16.12 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 113.476 0.15 . . . . 70.02 113.476 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.5 mt -85.26 123.1 73.62 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 123.283 0.633 . . . . 73.4 109.946 -176.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 15.8 Cg_exo -69.4 116.09 4.36 Favored 'Trans proline' 0 CA--C 1.559 1.745 0 C-N-CA 122.484 2.123 . . . . 72.31 111.165 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.66 -24.7 54.98 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.469 2.779 . . . . 62.23 113.963 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.6 -33.69 76.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.271 -0.877 . . . . 75.14 111.821 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.519 HE21 HD11 ' A' ' 71' ' ' LEU . 20.6 pt20 -100.35 18.68 18.29 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.376 0.608 . . . . 63.01 111.261 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' HD11 ' A' ' 69' ' ' LEU . 17.5 tt0 -105.33 142.15 35.6 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.516 1.126 . . . . 64.44 111.101 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 3.3 mpt_? -124.36 84.23 2.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.537 -1.283 . . . . 74.3 107.537 163.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 121.22 24.75 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.134 -1.432 . . . . 55.44 107.134 174.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.579 HG12 ' HG3' ' A' ' 49' ' ' GLN . 12.6 mt -126.9 139.56 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 109.466 -0.568 . . . . 65.34 109.466 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 50' ' ' LEU . 37.8 t80 -122.96 109.91 14.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 74.43 109.055 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.32 18.68 5.68 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.074 0.95 . . . . 41.45 112.736 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' HD11 ' C' ' 753' ' ' LEU . . . 93.69 27.16 13.27 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 114.572 0.589 . . . . 61.31 114.572 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -139.2 119.08 13.28 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.245 -1.02 . . . . 71.22 108.245 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.579 ' HG3' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -73.04 131.01 41.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.785 0.834 . . . . 62.54 111.349 -171.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.8 mm? -73.36 98.2 2.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.301 1.04 . . . . 63.21 109.989 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 32.8 mm-40 -70.91 142.25 51.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.796 0.838 . . . . 63.02 111.669 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -41.57 -64.51 0.56 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.321 1.848 . . . . 75.04 113.132 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.88 31.46 8.17 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.836 -0.62 . . . . 52.2 113.263 -177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 8.7 tpt180 -89.59 -179.85 5.88 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.82 -1.178 . . . . 74.2 107.82 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 151.75 36.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.278 0.631 . . . . 74.12 109.409 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 23' ' ' ILE . 4.1 mm? -58.54 -41.74 86.23 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.328 0.651 . . . . 50.44 110.62 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -62.9 -27.19 69.2 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.173 0.989 . . . . 74.32 112.653 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.12 -31.98 70.56 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.117 0.484 . . . . 41.12 110.987 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB2' HG13 ' A' ' 61' ' ' ILE . 75.7 m-85 -97.01 1.44 50.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.647 0.779 . . . . 65.4 110.355 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t30 59.15 30.79 20.65 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.222 1.009 . . . . 72.53 109.931 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 59' ' ' TYR . 49.5 mt -63.16 111.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 114.953 -1.021 . . . . 72.33 109.78 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -108.77 -171.82 1.93 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.395 1.078 . . . . 72.45 108.875 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -65.81 155.2 36.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.297 0.239 . . . . 71.32 110.545 177.172 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 39.27 52.14 2.14 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.093 1.757 . . . . 55.32 113.253 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.063 -0.971 . . . . 61.54 108.984 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.49 123.33 38.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.11 0.564 . . . . 55.21 111.042 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 1.2 mp -114.11 156.6 23.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.579 -1.267 . . . . 71.2 107.579 175.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.96 134.22 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.916 -0.772 . . . . 72.02 108.916 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' H ' ' B' ' 108' ' ' VAL . 39.0 tp -93.01 128.8 39.0 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.1 -0.955 . . . . 75.55 110.135 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.7 mp -120.57 158.37 27.48 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.371 -0.974 . . . . 73.33 108.371 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.519 HD11 HE21 ' A' ' 40' ' ' GLN . 22.7 tp -99.86 172.12 7.44 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.132 0.973 . . . . 54.35 110.145 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -37.28 124.85 0.99 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.259 1.424 . . . . 72.03 113.783 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.8 -70.82 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.258 -1.016 . . . . 72.15 108.258 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 42' ' ' ARG . 6.5 ptm180 . . . . . 0 CA--C 1.554 1.114 0 CA-C-O 118.512 -0.756 . . . . 55.54 110.156 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 N-CA-C 111.395 -0.682 . . . . 74.43 111.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.38 -179.77 8.25 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.328 0.585 . . . . 75.33 111.509 -174.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.12 123.48 20.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.076 -1.453 . . . . 74.41 107.076 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.5 pt -120.95 175.92 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.105 0.562 . . . . 72.42 111.72 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.0 m-85 -120.9 113.01 19.5 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.211 -0.904 . . . . 71.15 108.631 177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.573 HG23 HD21 ' A' ' 15' ' ' LEU . 63.7 t -107.62 112.85 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.666 -0.864 . . . . 73.31 108.666 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.542 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.4 t0 -80.97 96.88 7.23 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.008 -0.738 . . . . 74.41 109.008 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.6 t -98.06 143.85 28.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.929 0.891 . . . . 75.44 110.949 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.664 ' H ' HD23 ' A' ' 69' ' ' LEU . 4.9 p -109.95 135.87 47.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.093 0.557 . . . . 74.14 110.358 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.39 145.62 39.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.87 0.868 . . . . 73.14 108.983 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -127.66 141.28 51.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.678 0.391 . . . . 75.53 111.264 172.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -116.02 145.1 43.26 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.367 1.067 . . . . 72.05 109.413 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . 0.412 HG23 ' HB3' ' A' ' 4' ' ' PHE . 28.9 m -97.02 112.54 24.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.626 0.77 . . . . 74.32 109.449 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 25.9 mm -97.77 109.56 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 109.176 -0.675 . . . . 74.12 109.176 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 4' ' ' PHE . 39.1 p -89.73 102.01 14.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.991 0.424 . . . . 73.44 110.411 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.26 171.66 7.42 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.7 -0.682 . . . . 73.21 110.091 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 25.2 mt-10 -126.77 135.35 50.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.533 0.733 . . . . 71.43 110.236 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.88 170.76 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-N 115.211 -0.904 . . . . 70.34 110.39 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -108.59 150.43 40.7 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.581 0.752 . . . . 75.12 109.711 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . 0.404 ' HB2' ' OG ' ' B' ' 157' ' ' SER . 52.1 Cg_endo -66.22 -33.35 39.95 Favored 'Trans proline' 0 C--N 1.37 1.698 0 C-N-CA 122.642 2.228 . . . . 73.22 113.006 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 62.3 p -82.91 -8.62 59.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.292 0.637 . . . . 55.23 111.898 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -74.44 158.19 34.3 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.525 -0.546 . . . . 75.4 109.525 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -93.19 171.05 9.18 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.616 0.766 . . . . 63.52 110.071 171.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.673 HG21 ' HB3' ' B' ' 150' ' ' LEU . 27.8 mm -73.99 -14.47 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-N 115.482 -0.781 . . . . 71.03 109.705 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.461 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 9.0 pt-20 -60.01 -32.24 70.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.841 0.456 . . . . 72.13 110.382 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 51.2 m-80 -66.09 -43.63 86.75 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.927 -0.397 . . . . 73.14 109.927 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.63 -48.37 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.207 0.603 . . . . 71.04 110.576 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.611 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -64.77 -36.49 84.48 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 123.29 0.368 . . . . 74.01 110.927 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -69.04 -33.11 73.07 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.468 0.48 . . . . 70.34 111.644 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.1 mmtt -77.43 -42.38 36.32 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.634 0.373 . . . . 64.51 110.922 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.53 ' HB ' HD12 ' B' ' 136' ' ' ILE . 22.9 pt -71.3 -25.53 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 117.958 0.345 . . . . 73.11 110.705 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -71.68 -46.6 58.32 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.866 0.866 . . . . 75.31 110.982 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.54 -49.82 75.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.622 0.769 . . . . 73.12 110.197 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -80.91 -62.94 1.52 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.615 -1.175 . . . . 72.25 111.296 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -98.35 -10.54 23.65 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.882 0.697 . . . . 74.24 112.882 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.8 64.95 Favored Glycine 0 N--CA 1.469 0.876 0 O-C-N 123.1 0.25 . . . . 52.15 113.165 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.53 HD12 ' HB ' ' B' ' 130' ' ' ILE . 73.6 mt -81.72 122.83 80.7 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.462 0.705 . . . . 72.13 109.553 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 32.1 Cg_exo -59.88 132.11 43.23 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.969 2.446 . . . . 52.52 112.242 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.611 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.6 Cg_endo -53.0 -41.24 72.92 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 123.411 2.741 . . . . 63.04 112.38 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.73 -39.31 65.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.485 1.114 . . . . 60.4 111.224 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 172' ' ' THR . 6.6 mt-30 -97.76 8.25 45.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.343 -0.844 . . . . 74.42 112.957 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' B' ' 127' ' ' LYS . 0.0 OUTLIER -78.64 82.17 4.9 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.862 0.465 . . . . 74.41 110.171 178.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' B' ' 142' ' ' ARG . 0.2 OUTLIER -95.26 79.89 3.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.799 -0.815 . . . . 53.13 108.799 172.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 5' ' ' VAL . 10.2 mt -89.23 113.58 24.82 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.173 -1.376 . . . . 52.45 108.748 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -100.62 112.16 24.51 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.993 -1.114 . . . . 54.32 107.993 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -110.67 106.08 15.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.062 1.345 . . . . 72.02 109.297 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.88 26.6 15.84 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 124.095 0.872 . . . . 54.1 111.459 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 -3.53 66.3 Favored Glycine 0 C--N 1.347 1.171 0 N-CA-C 114.893 0.717 . . . . 53.03 114.893 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -97.37 126.59 42.71 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.923 -0.769 . . . . 74.3 108.923 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.9 136.79 35.3 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.927 -0.768 . . . . 71.24 108.927 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.673 ' HB3' HG21 ' B' ' 123' ' ' ILE . 10.8 mp -85.75 97.61 10.25 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.772 0.796 . . . . 74.23 112.282 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.11 132.04 35.34 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.7 -1.591 . . . . 64.12 107.382 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.663 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 24.7 m-20 -61.09 -28.29 68.98 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.138 0.975 . . . . 74.55 113.196 -168.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -77.54 -8.0 87.13 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-N 115.739 -0.664 . . . . 63.22 114.359 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.429 ' O ' HG12 ' B' ' 123' ' ' ILE . 3.8 mmp_? -88.83 156.52 18.9 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 117.283 0.542 . . . . 73.51 109.597 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 7.7 p -92.02 163.4 14.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.766 0.426 . . . . 54.24 110.185 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.59 -37.87 85.82 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 109.412 -0.588 . . . . 75.23 109.412 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' B' ' 119' ' ' PRO . 70.1 m -64.52 -29.86 70.89 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.016 0.527 . . . . 62.11 112.049 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.1 -17.31 63.84 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.185 0.594 . . . . 63.41 111.137 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' B' ' 150' ' ' LEU . 86.9 m-85 -102.64 -9.45 20.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.57 0.748 . . . . 73.12 111.081 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.59 52.87 10.4 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.006 0.908 . . . . 73.15 108.994 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' B' ' 159' ' ' TYR . 3.4 mm -62.31 110.51 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 114.391 -1.277 . . . . 74.21 110.18 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 147.54 36.53 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.345 -1.298 . . . . 75.21 109.426 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -65.14 127.71 32.79 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 108.915 -0.772 . . . . 72.44 108.915 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 68.64 23.36 7.2 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.608 1.193 . . . . 72.45 111.674 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.3 p -59.96 140.94 56.39 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 123.479 0.487 . . . . 74.11 110.944 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -107.16 111.5 23.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.774 0.43 . . . . 73.5 110.781 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.483 HD13 HG23 ' A' ' 3' ' ' ILE . 4.2 mp -113.49 148.15 36.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.459 1.104 . . . . 75.53 108.731 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' C' ' 766' ' ' GLU . 12.9 tt -100.62 115.3 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.535 0.683 . . . . 74.13 110.651 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.599 HD13 ' HG ' ' B' ' 143' ' ' LEU . 67.8 tp -98.46 130.15 45.07 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.299 1.04 . . . . 61.51 109.818 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 767' ' ' SER . 4.1 mt -130.8 121.8 26.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.134 0.974 . . . . 72.43 108.598 170.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.411 HD21 HG12 ' B' ' 136' ' ' ILE . 7.3 mp -74.81 85.24 2.19 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.988 0.805 . . . . 63.33 109.29 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' B' ' 140' ' ' GLN . 11.6 p . . . . . 0 N--CA 1.485 1.303 0 C-N-CA 124.758 1.223 . . . . 73.54 109.202 -176.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.748 0 N-CA-C 111.535 0.198 . . . . 74.05 111.535 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -53.72 -42.74 68.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.829 1.252 . . . . 63.34 112.067 -177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.88 -54.9 27.93 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.067 0.855 . . . . 70.41 112.068 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.2 -48.23 52.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.831 0.852 . . . . 60.14 112.035 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -41.71 97.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.433 -0.803 . . . . 70.13 110.768 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -75.01 -30.89 61.25 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.44 0.462 . . . . 72.3 110.434 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -48.39 72.75 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.064 0.853 . . . . 72.02 109.954 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.46 -42.85 99.4 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.158 0.911 . . . . 64.11 110.461 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.3 -34.58 78.31 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 123.822 0.701 . . . . 71.23 109.575 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . 0.554 HD11 ' HA2' ' A' ' 47' ' ' GLY . 3.1 tm? -71.27 -41.15 70.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.32 1.048 . . . . 64.21 110.159 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.501 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 32.0 m-85 -62.92 -40.99 99.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.469 0.708 . . . . 74.41 109.433 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.438 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.5 t-105 -68.36 -45.21 73.43 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.88 -1.055 . . . . 73.15 110.407 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . 0.442 HG21 ' HD2' ' A' ' 74' ' ' ARG . 98.6 m -63.41 -32.13 73.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.083 0.553 . . . . 64.5 110.468 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.448 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.03 -60.31 3.67 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.669 -0.696 . . . . 74.43 109.454 171.384 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' C' ' 762' ' ' LEU . 56.3 mt -62.97 -37.01 78.19 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 114.956 -1.02 . . . . 72.51 111.016 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' C' ' 817' ' ' LEU . 52.5 mt-30 -63.56 -58.8 5.84 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.745 0.818 . . . . 71.21 110.906 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -71.71 -22.74 61.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.586 -1.188 . . . . 71.03 111.766 -170.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.711 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.7 ppp? -85.25 -37.58 19.9 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 110.166 -0.309 . . . . 62.31 110.166 172.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' C' ' 761' ' ' MET . 1.7 mm? -68.91 -27.75 66.06 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 123.525 0.73 . . . . 74.13 111.634 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 11.4 t -67.78 -16.82 64.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.535 0.334 . . . . 72.23 111.136 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -104.7 -53.94 2.6 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.341 0.656 . . . . 73.43 109.609 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.458 ' O ' HD13 ' C' ' 762' ' ' LEU . 3.4 mp -96.32 72.58 2.82 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.449 -0.945 . . . . 62.31 108.449 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 26.0 tt0 -78.62 76.1 5.13 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 116.449 -0.341 . . . . 65.14 110.546 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . 0.484 ' O ' HD13 ' B' ' 170' ' ' LEU . 6.9 m 151.78 103.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 128.008 2.523 . . . . 54.12 110.011 169.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 5.4 mp -133.35 142.65 48.52 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.162 0.585 . . . . 74.13 110.236 169.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 22.9 t -58.11 144.06 41.59 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.781 -1.1 . . . . 61.13 109.316 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.456 HD13 HD13 ' C' ' 799' ' ' LEU . 5.0 tp -50.89 -36.71 39.54 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.282 0.988 . . . . 71.42 111.578 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.52 -39.25 90.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.379 0.511 . . . . 72.13 112.379 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.45 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 21.5 mtp180 -61.85 -58.53 7.59 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.648 0.379 . . . . 53.3 110.409 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.55 HD12 HD11 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -59.93 -39.86 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 115.089 -0.96 . . . . 52.41 110.618 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.445 ' HA ' HD11 ' C' ' 795' ' ' LEU . 35.4 t80 -56.98 -50.59 72.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.998 0.919 . . . . 61.3 111.303 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -67.58 -30.69 70.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.712 0.405 . . . . 62.13 111.616 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . 0.613 ' SD ' ' HH2' ' A' ' 10' ' ' TRP . 21.3 mtm -60.73 -55.44 33.13 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.898 -0.408 . . . . 71.2 109.898 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.424 HD21 HD11 ' C' ' 758' ' ' ILE . 10.8 mp -59.48 -34.45 72.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.576 0.75 . . . . 74.52 111.099 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' C' ' 781' ' ' VAL . 27.6 mtm180 -64.55 -44.33 91.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.142 0.577 . . . . 73.34 111.493 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.39 -50.48 67.45 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.347 0.659 . . . . 74.12 110.257 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . 0.501 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 7.1 m-85 -68.16 -35.07 77.48 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.385 -0.371 . . . . 73.23 111.574 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.53 HG21 ' H ' ' C' ' 790' ' ' ILE . 6.7 p -77.54 -30.8 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.458 0.303 . . . . 44.51 111.753 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 -33.66 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 117.684 0.22 . . . . 71.23 110.978 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 25.1 p -77.4 -24.85 50.42 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 120.826 0.346 . . . . 62.35 111.483 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -114.29 174.66 15.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.529 -0.759 . . . . 73.12 112.315 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -84.57 17.7 1.69 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 123.397 2.731 . . . . 72.0 112.776 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.47 106.0 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.998 1.719 . . . . 71.34 113.964 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 36.95 38.33 0.09 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.361 2.264 . . . . 63.01 112.929 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.54 -67.36 0.25 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.123 1.369 . . . . 72.01 110.582 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -163.22 133.52 4.46 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.165 0.986 . . . . 64.14 108.455 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.575 HD12 HD12 ' C' ' 795' ' ' LEU . 31.1 pt -80.17 175.86 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.444 0.698 . . . . 74.44 109.55 167.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' C' ' 794' ' ' GLU . 20.4 t70 -149.65 172.67 14.68 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.992 -0.744 . . . . 74.54 108.992 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.43 -45.99 87.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.85 0.86 . . . . 74.42 111.363 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -63.99 -34.59 78.33 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.177 0.298 . . . . 71.43 110.797 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' C' ' 791' ' ' ASP . 13.1 tp10 -70.4 -47.0 62.87 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.197 0.999 . . . . 72.01 110.561 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.575 HD12 HD12 ' C' ' 790' ' ' ILE . 7.6 tt -76.77 -51.2 11.83 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 124.363 1.065 . . . . 62.25 110.165 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.46 -44.69 89.35 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.825 0.85 . . . . 75.24 110.615 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.5 -34.63 86.45 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.952 0.782 . . . . 61.41 113.599 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 8.2 t80 -64.52 -51.87 60.69 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.088 0.555 . . . . 64.12 109.604 175.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.55 HD11 HD12 ' C' ' 773' ' ' ILE . 3.5 mt -66.61 -29.0 68.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.545 0.738 . . . . 61.31 112.227 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.39 -47.25 77.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.867 -0.79 . . . . 75.41 108.867 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -57.44 -50.43 73.03 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.824 1.327 . . . . 74.41 109.888 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -60.87 -39.76 90.43 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.169 0.803 . . . . 62.21 113.169 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 56.1 t -68.98 -44.67 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 122.926 0.49 . . . . 63.14 110.803 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -78.0 -12.02 59.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.283 0.633 . . . . 74.3 112.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -94.32 -4.82 47.95 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.933 0.893 . . . . 74.43 110.863 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 64.99 14.1 9.11 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.203 1.401 . . . . 65.14 111.556 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . 0.413 ' HG3' ' HZ2' ' C' ' 755' ' ' TRP . 5.6 tp-100 -78.0 -22.44 49.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.028 1.331 . . . . 74.21 110.552 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' C' ' 817' ' ' LEU . 1.4 tt -144.24 138.7 28.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.187 -1.412 . . . . 74.12 107.187 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.93 130.32 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.039 0.536 . . . . 74.13 109.879 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -92.44 105.68 17.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.517 -1.29 . . . . 72.24 107.517 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.538 ' HB3' HG13 ' C' ' 814' ' ' VAL . 23.7 t -78.27 -146.84 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.722 0.809 . . . . 63.45 109.273 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.52 72.08 1.88 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.835 0.743 . . . . 64.52 111.486 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.18 21.42 78.04 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.86 -0.609 . . . . 43.31 112.628 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.0 p -143.17 139.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.501 0.721 . . . . 63.45 109.41 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -92.81 134.15 35.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.997 0.519 . . . . 73.31 110.761 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.657 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 5.0 ppt_? -154.19 141.31 19.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.737 0.815 . . . . 75.42 109.197 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.575 HD23 ' HG ' ' C' ' 808' ' ' LEU . 76.7 mt -71.75 143.93 87.66 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 112.08 0.4 . . . . 71.14 112.08 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 C--N 1.383 2.349 0 C-N-CA 124.557 3.505 . . . . 52.32 115.169 174.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.44 0 N-CA-C 110.765 -0.934 . . . . 32.01 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -160.45 149.61 17.21 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.991 0.9 . . . . 74.33 109.514 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.51 ' H ' ' NE2' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -101.4 148.3 25.32 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.419 -1.326 . . . . 63.41 107.419 176.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.39 164.23 31.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 C-N-CA 122.997 0.519 . . . . 73.34 110.018 -174.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.5 ' CD1' HG22 ' B' ' 114' ' ' THR . 4.9 m-85 -123.01 102.78 8.19 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.527 -1.286 . . . . 74.13 107.527 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -90.82 96.8 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.17 -1.048 . . . . 73.54 108.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.91 101.31 1.73 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.374 -0.83 . . . . 73.13 110.248 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -88.47 101.19 13.67 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.311 -0.859 . . . . 43.13 109.077 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.55 135.83 29.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 N-CA-C 108.627 -0.879 . . . . 75.25 108.627 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.63 103.18 7.98 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 71.42 107.133 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.412 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 49.9 t-105 -111.94 108.34 17.66 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 125.31 1.444 . . . . 70.54 108.099 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -154.2 134.76 13.52 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.433 0.458 . . . . 74.11 111.813 -172.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 7.5 m -76.65 116.62 17.5 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.241 -0.89 . . . . 74.13 109.16 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.82 122.11 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.079 -0.712 . . . . 72.01 109.079 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.1 m -88.99 127.56 35.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.459 -0.571 . . . . 74.55 109.459 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.51 171.17 15.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.756 1.222 . . . . 74.22 107.96 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -115.53 158.42 22.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.615 0.721 . . . . 75.22 110.32 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -151.01 172.96 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.009 -1.45 . . . . 70.22 108.842 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 45.3 mt-10 -125.28 150.17 66.44 Favored Pre-proline 0 N--CA 1.482 1.126 0 CA-C-N 118.457 0.571 . . . . 54.51 110.414 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 29.4 Cg_endo -63.39 -30.5 72.68 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.501 2.134 . . . . 74.44 112.603 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -84.51 -4.51 58.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.904 0.882 . . . . 73.44 112.412 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' O ' HD23 ' A' ' 56' ' ' LEU . 26.3 t70 -90.15 139.25 30.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.266 -1.383 . . . . 70.34 107.266 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 19.3 p -80.94 161.39 24.34 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.795 0.807 . . . . 74.55 112.707 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.491 HD13 HD22 ' A' ' 56' ' ' LEU . 13.7 mm -66.84 -28.9 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 113.813 -1.539 . . . . 74.33 110.016 173.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -50.23 -46.57 54.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.919 1.288 . . . . 72.32 111.407 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.53 ' ND2' ' H ' ' A' ' 22' ' ' THR . 69.9 m-20 -63.93 -44.85 91.64 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.276 -0.874 . . . . 71.2 110.391 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.03 -48.91 80.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 O-C-N 123.733 0.646 . . . . 73.24 110.442 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -51.69 -53.77 35.53 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 125.261 1.424 . . . . 73.12 111.146 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.37 65.32 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-N 114.829 -1.078 . . . . 75.14 112.92 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 15.3 ptpt -82.22 -34.7 28.79 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.164 0.586 . . . . 74.21 110.172 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.547 ' HB ' HD11 ' A' ' 36' ' ' ILE . 14.7 pt -75.55 -34.68 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.482 -0.562 . . . . 73.14 109.482 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.3 -34.96 79.57 Favored 'General case' 0 C--N 1.362 1.137 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.534 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.67 -52.39 38.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.81 0.444 . . . . 71.52 111.074 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 44.5 mmtm -76.98 -64.09 1.21 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.722 -0.672 . . . . 73.13 111.624 -171.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.97 -18.89 38.34 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.402 0.681 . . . . 73.42 111.571 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.97 78.8 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.315 0.384 . . . . 73.54 112.279 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 ' HB ' ' A' ' 30' ' ' ILE . 11.8 pt -88.86 113.73 57.12 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.595 0.758 . . . . 61.33 110.007 -176.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.8 Cg_endo -81.36 134.79 9.13 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.06 2.506 . . . . 55.44 111.521 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -59.13 -42.98 45.6 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 123.621 2.881 . . . . 73.54 113.628 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.58 -33.41 75.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.526 0.731 . . . . 62.03 111.265 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -16.55 24.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.335 1.054 . . . . 65.43 110.613 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 68.4 mt-30 -140.06 98.2 3.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 61.43 109.282 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.573 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.8 103.05 6.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.562 0.745 . . . . 71.43 110.22 -176.392 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 67' ' ' LEU . 4.1 tt -71.86 111.9 7.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.278 1.031 . . . . 61.43 110.214 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.691 HG12 ' HG2' ' A' ' 49' ' ' GLN . 9.1 mt -110.28 133.24 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.302 -0.999 . . . . 54.34 108.302 168.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 20.3 t80 -120.63 119.66 33.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.652 1.181 . . . . 73.22 109.288 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.96 19.26 11.49 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 124.02 0.825 . . . . 51.12 112.321 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.46 29.85 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 115.251 -0.886 . . . . 74.55 113.703 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -143.17 117.98 9.92 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.959 0.904 . . . . 71.13 109.52 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.691 ' HG2' HG12 ' A' ' 44' ' ' ILE . 77.2 mt-30 -70.87 129.45 39.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.302 -0.629 . . . . 63.15 109.302 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.3 mt -87.35 117.34 26.05 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.902 -0.59 . . . . 74.2 110.308 -174.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 53' ' ' GLY . 32.9 tt0 -76.84 123.17 25.84 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.31 -0.859 . . . . 73.11 109.068 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.2 p-10 -61.68 -23.85 66.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.141 0.976 . . . . 74.33 112.037 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' H ' ' HG2' ' A' ' 51' ' ' GLU . . . -74.28 0.96 52.08 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.878 -0.601 . . . . 74.55 114.33 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -111.43 178.8 4.21 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.807 0.804 . . . . 75.21 110.807 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.4 m -115.72 159.17 21.75 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.117 0.967 . . . . 73.42 109.586 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 21' ' ' ASP . 4.4 mm? -62.12 -41.71 98.51 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.149 0.579 . . . . 73.44 112.221 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -30.67 71.74 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.362 0.505 . . . . 75.01 112.362 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' THR . 16.4 t70 -55.79 -33.19 64.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.493 0.717 . . . . 71.43 111.259 174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.84 -12.23 29.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.401 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.34 45.86 22.08 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.41 1.084 . . . . 73.44 110.233 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD13 ' A' ' 56' ' ' LEU . 34.4 mt -71.27 119.68 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 73.0 109.399 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -98.06 -171.76 2.22 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.102 0.961 . . . . 75.21 109.821 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.4 147.24 36.13 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 120.829 0.347 . . . . 71.22 111.273 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 55.93 31.74 18.44 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.614 1.566 . . . . 64.54 112.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -73.59 136.15 43.93 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 123.277 0.631 . . . . 72.31 109.327 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.93 129.08 46.73 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.379 0.609 . . . . 74.54 111.312 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -126.04 164.82 20.01 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.189 1.795 . . . . 75.25 107.128 -177.014 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.17 133.98 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.172 0.511 . . . . 73.41 111.096 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mp -87.05 122.59 31.08 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.197 -0.911 . . . . 74.31 108.966 165.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 3.2 mm? -95.17 125.5 39.86 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.097 -1.446 . . . . 75.44 107.097 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB2' HG13 ' B' ' 108' ' ' VAL . 2.3 tt -70.01 149.12 48.05 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.835 -0.802 . . . . 75.34 108.835 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.465 ' N ' HD23 ' A' ' 71' ' ' LEU . 31.8 m -34.17 104.22 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.279 1.832 . . . . 70.02 113.495 -177.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.3 pp -79.58 -18.74 51.01 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 115.283 -0.871 . . . . 65.22 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 73' ' ' LEU . 6.6 ptm180 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 124.812 1.245 . . . . 54.2 109.06 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.333 -0.307 . . . . 52.55 112.333 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.427 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.29 152.89 26.67 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.79 0.805 . . . . 53.44 110.264 -175.017 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.95 151.45 23.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.524 -1.217 . . . . 72.13 109.504 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -143.68 164.13 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 121.386 0.612 . . . . 71.43 110.828 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 12' ' ' THR . 19.4 m-85 -124.98 104.25 8.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.9 -1.045 . . . . 73.55 108.726 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.4 m -101.62 105.68 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.214 0.915 . . . . 64.31 108.705 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 13.9 t0 -75.35 136.43 40.82 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.627 -0.879 . . . . 75.3 108.627 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.5 t -132.69 141.11 48.43 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 121.27 0.557 . . . . 53.24 110.702 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 71' ' ' LEU . 2.0 p -119.21 124.09 72.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.125 -1.398 . . . . 53.0 108.103 171.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -133.79 146.55 50.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.635 -0.876 . . . . 73.01 108.635 169.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -132.41 131.12 41.46 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.025 -1.102 . . . . 74.44 108.025 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -139.55 158.56 43.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.672 1.189 . . . . 71.03 108.938 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 42.7 m -123.42 120.83 34.11 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.672 0.789 . . . . 52.51 109.424 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 34.1 mm -99.07 110.07 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.35 -0.982 . . . . 72.51 108.35 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.5 HG22 ' CD1' ' A' ' 4' ' ' PHE . 28.0 p -91.0 118.17 30.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.432 -0.581 . . . . 53.01 109.432 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.46 159.73 40.69 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.177 0.591 . . . . 73.51 110.135 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.89 143.16 30.43 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.312 -0.625 . . . . 61.14 109.312 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.52 165.45 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 115.057 -0.974 . . . . 73.44 109.636 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -113.92 152.6 45.82 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.141 0.576 . . . . 52.35 110.487 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.66 -30.32 69.95 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.654 2.236 . . . . 74.52 112.106 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -88.01 0.42 55.96 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.062 0.945 . . . . 62.42 112.157 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -78.51 154.52 30.41 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.152 -0.684 . . . . 75.22 109.152 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -99.71 151.7 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.727 -0.67 . . . . 62.24 109.7 169.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.452 HD13 HD22 ' B' ' 156' ' ' LEU . 26.2 mm -56.36 -17.09 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 C-N-CA 125.588 1.555 . . . . 70.32 112.008 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 0.7 OUTLIER -56.55 -29.3 61.82 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.724 0.81 . . . . 74.41 110.916 176.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 3.5 p30 -61.33 -45.74 93.15 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 123.549 0.53 . . . . 64.24 109.609 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.11 -48.96 77.34 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 C-N-CA 123.835 0.854 . . . . 62.43 110.24 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -63.97 -35.86 82.08 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.426 -0.352 . . . . 70.5 110.285 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.69 85.81 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.523 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 32.0 mmtp -69.81 -42.56 73.54 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.973 0.509 . . . . 74.44 111.824 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.7 pt -68.2 -30.78 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-N 118.447 0.567 . . . . 55.43 110.12 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.96 -25.17 48.03 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.673 0.789 . . . . 53.41 111.972 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.21 -41.34 25.36 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.872 0.869 . . . . 75.21 110.263 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.42 -63.31 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.648 -1.16 . . . . 74.23 111.136 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.74 -7.87 22.22 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.297 0.481 . . . . 62.55 112.297 -171.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 75.22 27.35 64.14 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-O 119.631 -0.538 . . . . 65.24 113.582 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.88 109.26 14.17 Favored Pre-proline 0 CA--C 1.557 1.23 0 C-N-CA 123.782 0.833 . . . . 75.14 110.131 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 6.8 Cg_exo -70.85 140.26 38.21 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.434 2.09 . . . . 72.33 110.475 171.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.463 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 13.8 Cg_endo -55.08 -33.32 83.22 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.719 2.946 . . . . 63.33 113.437 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.41 -25.56 66.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.492 1.517 . . . . 72.15 113.039 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -100.98 5.1 43.01 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.557 0.743 . . . . 71.43 111.443 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -145.18 145.37 31.32 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.327 0.492 . . . . 54.34 112.327 -173.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.55 10.96 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.231 -1.026 . . . . 51.12 108.231 170.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.457 ' HB2' HE22 ' B' ' 141' ' ' GLN . 54.4 tp -83.42 106.25 15.02 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 107.431 -1.322 . . . . 73.1 107.431 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.59 141.25 30.86 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.012 -0.736 . . . . 45.23 109.012 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' B' ' 150' ' ' LEU . 20.4 t80 -142.61 112.89 7.17 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.224 1.41 . . . . 73.35 107.24 177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 63.0 20.88 12.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.866 0.866 . . . . 75.42 112.791 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.13 60.29 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.876 -0.402 . . . . 73.34 114.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -132.21 135.69 46.5 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.079 -0.711 . . . . 75.15 109.079 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -76.26 150.86 36.93 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.233 0.54 . . . . 71.21 110.073 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 145' ' ' PHE . 48.5 mt -98.45 110.32 22.93 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.42 -0.809 . . . . 60.4 110.089 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 40.6 mt-10 -65.88 128.74 37.21 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.47 -0.937 . . . . 74.44 108.47 172.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.562 ' HB2' ' HG2' ' B' ' 127' ' ' LYS . 8.8 p-10 -60.89 -32.45 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.388 0.675 . . . . 63.42 111.605 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.18 -1.49 90.37 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.561 -0.577 . . . . 42.15 114.429 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 173.31 7.67 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 117.642 0.721 . . . . 73.22 109.188 -175.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 29.2 m -105.41 155.41 19.16 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 72.03 111.2 -173.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.452 HD22 HD13 ' B' ' 123' ' ' ILE . 4.3 mm? -61.97 -45.43 93.69 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.795 0.838 . . . . 74.54 110.858 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.4 t -62.4 -32.56 73.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.264 -0.425 . . . . 71.23 112.129 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.78 -35.0 65.78 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.741 0.65 . . . . 64.13 111.761 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.467 ' HB2' HD12 ' B' ' 161' ' ' ILE . 94.1 m-85 -99.14 -10.84 21.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.11 -0.495 . . . . 73.11 110.587 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 9.2 t30 60.07 63.89 1.35 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.147 0.904 . . . . 73.43 110.423 -171.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.467 HD12 ' HB2' ' B' ' 159' ' ' TYR . 2.0 mp -68.15 119.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.334 -0.848 . . . . 72.53 108.996 167.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.04 162.5 17.56 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.917 0.865 . . . . 72.34 110.86 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -68.84 140.2 55.21 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.766 -0.827 . . . . 64.41 108.766 171.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.97 15.97 10.28 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.866 1.266 . . . . 60.41 111.976 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.8 t -50.78 132.6 26.49 Favored 'General case' 0 C--N 1.374 1.674 0 N-CA-C 112.681 0.622 . . . . 43.33 112.681 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -101.73 105.53 16.43 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.047 0.451 . . . . 51.43 109.941 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.464 HD12 ' N ' ' B' ' 167' ' ' LEU . 1.6 mp -102.93 163.17 12.37 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.432 -1.322 . . . . 73.1 107.432 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 9.1 tt -133.41 122.75 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.612 0.72 . . . . 73.01 110.618 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.42 107.33 15.0 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.783 -1.099 . . . . 63.33 109.615 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.98 159.36 14.96 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.634 -0.876 . . . . 73.13 108.634 169.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.51 176.0 3.73 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.904 0.882 . . . . 73.22 109.676 165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 CA--C 1.56 1.36 0 CA-C-O 121.801 0.81 . . . . 64.11 110.927 173.077 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 120.901 0.381 . . . . 62.41 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.46 -39.45 94.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.618 -0.719 . . . . 71.33 110.099 174.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -47.57 -58.07 4.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.543 1.137 . . . . 74.12 111.814 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 5.7 ptpp? -70.09 -41.42 74.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.452 -0.794 . . . . 60.33 113.133 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.3 -50.58 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.725 0.41 . . . . 73.02 110.576 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.71 -25.77 64.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.477 -0.783 . . . . 73.11 111.197 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -54.54 44.36 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.683 -0.858 . . . . 71.33 108.683 172.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 76.0 mt -60.87 -39.49 89.4 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.467 1.105 . . . . 51.43 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.83 -35.87 81.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.821 0.849 . . . . 72.43 109.708 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.71 -38.46 67.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.471 0.708 . . . . 63.21 110.775 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.445 ' HE2' HD12 ' C' ' 787' ' ' LEU . 28.4 m-85 -65.4 -34.89 79.37 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.248 0.547 . . . . 73.21 109.579 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -71.78 -33.31 68.49 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 115.121 -0.945 . . . . 74.5 110.403 172.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 85.6 m -64.65 -32.94 74.83 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.764 0.711 . . . . 62.12 109.309 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.86 -65.86 0.62 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 74.14 110.679 170.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 51.1 mt -63.67 -26.72 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.355 0.662 . . . . 74.44 111.73 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.5 tt0 -75.74 -53.78 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.367 -0.605 . . . . 74.44 109.367 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -70.28 -20.27 63.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.629 -0.714 . . . . 75.2 112.021 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 26.1 ttt -78.71 -60.71 2.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.928 -0.767 . . . . 73.4 108.928 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' C' ' 768' ' ' LEU . 9.6 mp -74.54 -13.67 60.7 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.677 0.621 . . . . 75.3 112.677 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 73' ' ' LEU . 5.3 t -64.01 -16.81 62.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.094 0.473 . . . . 70.32 111.401 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.473 ' ND2' HG23 ' C' ' 763' ' ' THR . 46.6 m-80 -128.65 -38.16 1.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.887 0.875 . . . . 75.4 110.251 171.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.409 HD23 HD23 ' C' ' 768' ' ' LEU . 9.7 tp -90.12 56.66 3.5 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.454 1.102 . . . . 64.13 108.932 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.3 55.31 2.83 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.168 0.987 . . . . 63.52 111.759 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 48.2 m -175.4 91.84 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.519 1.128 . . . . 61.11 109.053 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' C' ' 762' ' ' LEU . 1.7 pp -159.95 154.05 23.32 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 113.056 0.762 . . . . 74.23 113.056 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.5 t -74.85 159.28 32.09 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.136 0.574 . . . . 62.21 110.93 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.441 ' O ' HD12 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -56.76 -42.27 79.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.667 1.187 . . . . 72.21 110.038 170.109 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.39 -44.38 44.98 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.733 0.813 . . . . 75.54 111.93 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' C' ' 776' ' ' MET . 27.0 mtp85 -61.12 -63.78 1.18 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.147 0.904 . . . . 63.53 110.564 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.94 -23.46 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 123.831 0.707 . . . . 74.5 112.26 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.591 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 56.4 t80 -62.79 -55.18 28.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.252 -0.647 . . . . 74.31 109.252 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.16 -37.77 78.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 123.811 0.694 . . . . 64.12 111.511 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 95.7 mmm -59.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.41 -0.813 . . . . 64.04 109.839 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.591 ' HB3' HD11 ' C' ' 790' ' ' ILE . 10.1 mp -55.67 -32.52 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.815 -0.63 . . . . 75.54 112.646 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.467 ' O ' HG12 ' C' ' 781' ' ' VAL . 10.7 mmm180 -63.23 -52.77 60.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.162 0.585 . . . . 75.31 111.134 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.51 93.68 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.736 -0.386 . . . . 62.52 110.041 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.0 -39.87 93.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.291 0.478 . . . . 71.54 112.291 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 778' ' ' ARG . 3.9 p -75.51 -34.16 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.022 -0.535 . . . . 74.44 111.161 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 22.3 m -88.66 -23.77 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 113.121 0.786 . . . . 74.3 113.121 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.5 p -72.08 -21.51 61.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.253 0.549 . . . . 72.14 111.08 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -117.58 179.32 17.26 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 114.867 -1.061 . . . . 63.21 111.871 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.23 -3.18 13.5 Favored 'Trans proline' 0 C--N 1.369 1.639 0 C-N-CA 122.739 2.293 . . . . 71.03 112.174 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -41.44 101.23 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.329 1.852 . . . . 71.34 112.676 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . 0.445 HD12 ' HE2' ' C' ' 754' ' ' PHE . 30.7 mt 57.16 11.38 1.03 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.375 1.07 . . . . 54.13 113.77 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.27 -70.33 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.492 1.117 . . . . 61.41 110.266 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.72 131.43 2.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.428 1.091 . . . . 70.03 108.533 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' C' ' 777' ' ' LEU . 15.4 pt -79.87 154.4 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.556 0.742 . . . . 61.42 110.006 169.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.73 173.51 6.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.172 -0.922 . . . . 72.52 109.602 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.2 -40.88 48.46 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 124.326 1.051 . . . . 70.35 112.359 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -60.57 -44.06 96.6 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.341 0.656 . . . . 74.34 111.405 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.4 -56.38 14.69 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.64 0.776 . . . . 73.21 110.217 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.591 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -53.16 -61.33 2.37 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.937 1.695 . . . . 52.32 111.195 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -58.51 -47.37 84.35 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.043 1.337 . . . . 44.4 111.084 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -59.61 -33.69 78.28 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.319 0.387 . . . . 43.15 113.552 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -72.08 -52.36 17.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.897 0.879 . . . . 71.31 109.953 -176.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 55.5 mt -59.71 -39.78 85.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.12 -1.4 . . . . 72.43 111.094 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.8 OUTLIER -57.13 -52.73 64.13 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.565 1.165 . . . . 75.34 108.872 177.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.85 -49.58 72.94 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 124.506 1.129 . . . . 74.11 109.378 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.609 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -54.68 -40.64 69.32 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 112.329 0.492 . . . . 75.2 112.329 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.78 -37.54 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 123.111 0.565 . . . . 60.35 111.441 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 11.5 mmm180 -67.68 -38.24 83.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.199 0.6 . . . . 75.21 111.304 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -83.85 -1.25 54.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.265 1.426 . . . . 72.43 111.476 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 66.08 16.94 10.64 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.581 1.552 . . . . 73.14 111.464 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -81.59 -11.38 59.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.397 1.479 . . . . 74.13 110.894 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.9 OUTLIER -147.16 142.89 27.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.484 -0.932 . . . . 54.05 108.484 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.0 t -105.45 120.27 55.93 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 123.378 0.671 . . . . 63.31 109.623 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -97.18 110.58 23.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.379 1.071 . . . . 73.24 108.189 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 29.4 t -87.59 -144.96 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.569 -0.9 . . . . 73.2 108.569 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.54 75.49 1.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.648 0.658 . . . . 64.21 110.757 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.46 14.07 81.25 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 115.554 -0.748 . . . . 74.54 113.754 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.17 146.67 32.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 122.969 0.507 . . . . 72.12 109.906 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -99.31 148.86 23.72 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 123.248 0.619 . . . . 75.13 110.863 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -158.06 141.78 15.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.89 -1.504 . . . . 72.3 109.7 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.8 mt -82.88 131.35 54.53 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 119.421 -0.323 . . . . 70.23 110.939 173.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.375 1.951 0 C-N-CA 122.696 2.264 . . . . 71.41 111.385 172.27 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.895 -0.482 . . . . 73.33 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.6 ' HG3' HG22 ' B' ' 161' ' ' ILE . 1.4 pmm? -158.18 -169.99 2.98 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.764 0.792 . . . . 74.12 109.653 177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -138.62 158.7 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 125.189 1.395 . . . . 74.02 107.879 175.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.422 HD11 HD11 ' B' ' 115' ' ' LEU . 19.3 pt -134.56 163.83 35.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 CA-C-O 121.576 0.703 . . . . 75.34 110.81 175.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.36 103.72 9.72 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.135 -1.431 . . . . 70.51 107.135 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.7 t -91.87 95.03 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 108.085 -1.08 . . . . 73.24 108.085 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.59 97.51 0.79 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.623 0.769 . . . . 75.1 109.652 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 HD23 ' B' ' 169' ' ' LEU . 40.0 p -88.06 107.26 18.66 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.806 -0.813 . . . . 64.24 108.806 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.84 123.29 56.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-N 115.189 -0.914 . . . . 65.24 109.392 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 24.3 mp0 -103.35 82.92 2.11 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.121 -1.437 . . . . 64.33 107.121 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.41 ' CE3' HG22 ' B' ' 108' ' ' VAL . 29.5 t-105 -97.99 104.17 16.18 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 106.628 -1.619 . . . . 72.5 106.628 173.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -160.26 133.61 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.509 0.559 . . . . 70.31 112.509 -165.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 9.6 m -76.38 109.93 10.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.665 0.786 . . . . 72.12 109.392 173.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 18.9 mm -93.59 154.36 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 108.711 -0.848 . . . . 61.33 108.711 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -117.98 129.33 55.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.327 -0.619 . . . . 60.1 109.327 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.36 169.94 16.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.231 1.012 . . . . 65.31 108.447 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.713 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 4.3 tm-20 -121.82 134.58 54.9 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.969 -0.752 . . . . 73.5 108.969 -172.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.06 175.42 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.53 0.732 . . . . 65.42 111.94 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 72.0 mm-40 -107.42 150.86 40.58 Favored Pre-proline 0 N--CA 1.472 0.672 0 CA-C-N 115.258 -0.883 . . . . 74.54 109.606 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.26 -42.06 30.85 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 122.416 2.078 . . . . 62.12 112.031 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -87.81 2.05 52.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.053 0.541 . . . . 62.21 111.37 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.788 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 2.0 t70 -79.33 165.43 23.16 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.575 -0.898 . . . . 72.11 108.575 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -92.91 164.1 13.44 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.469 0.708 . . . . 73.13 111.209 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.679 HG21 ' HB3' ' A' ' 50' ' ' LEU . 29.7 mm -75.58 -19.81 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-N 115.09 -0.959 . . . . 73.22 110.525 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.93 -23.01 64.94 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.929 0.892 . . . . 62.43 110.854 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 57.9 t-20 -53.63 -62.49 1.62 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.312 1.445 . . . . 75.24 109.584 169.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.23 -42.12 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.884 -1.053 . . . . 60.43 110.23 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 35.5 ttpt -53.68 -52.44 60.0 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.523 1.14 . . . . 70.15 111.566 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.78 69.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.517 -0.765 . . . . 65.43 111.531 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.9 mmtp -63.95 -50.37 68.9 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.017 0.527 . . . . 72.52 111.088 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.29 -31.62 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.357 0.263 . . . . 75.43 110.381 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.46 -34.74 72.77 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.76 0.314 . . . . 74.31 111.091 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.58 -48.9 23.99 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.484 0.659 . . . . 61.34 110.866 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -84.47 -59.1 2.48 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.607 -1.179 . . . . 71.23 111.105 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.47 -28.67 31.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.284 0.634 . . . . 71.43 110.637 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.41 16.09 69.77 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.485 -0.78 . . . . 52.43 112.852 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 71.0 mt -70.67 117.17 52.98 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.05 0.54 . . . . 53.21 109.777 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.7 Cg_exo -77.76 118.79 4.59 Favored 'Trans proline' 0 CA--C 1.558 1.711 0 C-N-CA 123.244 2.63 . . . . 72.22 111.634 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HB3' ' HG3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -56.24 -41.89 71.83 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 124.171 3.247 . . . . 73.12 114.834 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.39 -27.78 66.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.659 0.784 . . . . 71.51 112.779 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.8 pt20 -116.41 18.17 15.25 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.103 0.561 . . . . 62.14 111.713 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 2.1 pt20 -113.09 147.4 37.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.383 0.611 . . . . 75.21 110.335 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.731 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 16.0 mtp180 -113.19 92.06 3.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.066 -1.087 . . . . 64.23 108.066 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -78.32 116.09 18.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.288 -1.005 . . . . 71.31 108.288 179.057 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.64 135.0 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 118.159 0.436 . . . . 74.32 110.74 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 45.1 t80 -131.54 112.06 12.3 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 125.348 1.459 . . . . 75.44 108.522 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.44 21.6 8.62 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.296 0.997 . . . . 44.22 112.468 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.2 54.59 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 114.829 0.692 . . . . 71.02 114.829 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -123.64 145.47 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.603 0.701 . . . . 64.11 110.5 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 132.9 35.19 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.963 0.905 . . . . 74.24 110.996 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.5 mm? -91.05 108.29 19.77 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.574 0.75 . . . . 64.52 109.294 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 40.7 mt-10 -85.72 135.29 33.81 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.188 -1.042 . . . . 74.02 108.188 171.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p-10 -63.81 -36.9 85.43 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.945 0.403 . . . . 71.14 111.345 -170.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 14.59 48.71 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.156 -0.475 . . . . 71.05 113.32 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tpt180 -98.7 165.07 11.97 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.612 -1.255 . . . . 74.41 107.612 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -96.96 157.61 15.82 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.527 0.603 . . . . 55.33 110.19 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.8 -37.99 80.7 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.258 -0.645 . . . . 73.44 109.258 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -67.01 -28.92 68.64 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.497 1.119 . . . . 71.35 112.66 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.85 -37.95 69.43 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.286 0.565 . . . . 51.4 110.494 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.9 m-85 -94.73 -0.01 54.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.958 -1.019 . . . . 73.21 111.076 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 t30 59.77 36.5 22.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.114 0.959 . . . . 54.22 110.404 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' A' ' 59' ' ' TYR . 38.5 mt -66.03 115.97 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.815 -1.084 . . . . 41.43 111.13 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.8 -170.89 1.79 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.536 1.134 . . . . 70.5 109.865 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.8 ttmt -72.59 143.91 48.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.844 0.457 . . . . 74.01 110.102 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.516 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 42.5 mt-10 60.43 26.54 16.12 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.632 1.573 . . . . 74.43 113.227 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.9 m -75.05 122.42 23.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.847 0.459 . . . . 63.42 110.632 177.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.52 127.9 40.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.502 0.721 . . . . 72.2 111.073 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -126.81 133.85 50.69 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.151 -1.425 . . . . 72.44 107.151 177.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 tt -99.82 137.9 25.86 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.521 0.677 . . . . 62.24 110.116 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.511 HD23 ' HG ' ' A' ' 43' ' ' LEU . 64.6 mt -98.92 104.23 16.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.454 -1.248 . . . . 60.22 108.299 174.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.731 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 78.7 mt -92.56 158.78 15.81 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.365 -0.976 . . . . 72.43 108.365 176.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 tp -100.47 168.91 9.44 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 109.125 -0.694 . . . . 72.21 109.125 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.87 109.48 0.2 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.419 1.088 . . . . 70.33 110.76 170.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' C' ' 760' ' ' ALA . 4.3 tt -82.13 -72.22 0.45 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.887 -1.153 . . . . 74.14 107.887 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 0 N-CA-C 108.164 -1.05 . . . . 65.13 108.164 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.227 -0.749 . . . . 65.23 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -156.31 158.93 38.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.358 0.663 . . . . 54.34 111.22 -175.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.713 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 16.1 mp0 -109.66 123.57 49.7 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.67 -1.233 . . . . 73.51 107.67 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.2 pt -120.48 165.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 123.112 0.565 . . . . 74.13 110.966 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 12.6 m-85 -110.24 124.94 52.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.323 -0.853 . . . . 61.43 108.847 -176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.5 108.04 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 107.888 -1.152 . . . . 70.35 107.888 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 8.5 t0 -74.54 102.39 4.5 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.487 -0.931 . . . . 63.42 108.487 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.461 ' HA ' HD12 ' A' ' 69' ' ' LEU . 62.2 p -90.46 140.79 29.4 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.632 1.173 . . . . 73.35 111.273 -172.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.432 HG11 ' OD1' ' C' ' 764' ' ' ASN . 44.8 t -116.61 109.17 27.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 124.518 1.136 . . . . 75.02 109.051 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 1.8 mp0 -115.98 139.47 50.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.325 -1.361 . . . . 65.42 107.325 169.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -135.89 132.85 37.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.96 -1.496 . . . . 74.13 106.96 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -150.86 123.04 8.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.97 0.794 . . . . 74.52 109.571 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 124.44 31.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.796 0.438 . . . . 71.11 109.886 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mm -100.26 111.24 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.617 -0.882 . . . . 74.01 108.617 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.5 m -93.54 119.99 33.27 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.594 -0.521 . . . . 24.01 109.594 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -137.96 168.57 19.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.202 0.601 . . . . 53.3 110.106 176.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 6.2 mp0 -106.15 150.26 26.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.744 0.818 . . . . 75.01 109.376 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.45 HG13 ' SD ' ' A' ' 1' ' ' MET . 7.2 p -152.51 164.07 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.936 0.772 . . . . 61.43 109.147 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -113.81 152.3 45.46 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 123.084 0.554 . . . . 74.03 110.648 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.2 -29.52 64.57 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 123.136 2.557 . . . . 75.42 112.806 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 24.7 m -78.71 -17.59 55.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.813 0.845 . . . . 62.02 112.117 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.73 156.96 28.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.657 0.383 . . . . 61.45 110.51 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 3.3 p -86.57 158.08 19.59 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.211 0.605 . . . . 72.13 110.751 173.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 27.4 mm -61.86 -25.48 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.918 -1.037 . . . . 65.14 109.48 168.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' B' ' 152' ' ' ASP . 7.9 tt0 -48.7 -33.22 9.72 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.82 1.248 . . . . 64.12 112.74 173.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -43.71 93.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 123.505 0.503 . . . . 74.22 110.446 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.42 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 24.9 t -68.24 -40.57 82.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.161 0.584 . . . . 50.41 110.233 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -55.9 -51.09 68.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.017 0.927 . . . . 71.43 110.911 172.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -32.25 71.82 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.56 -1.2 . . . . 71.52 111.373 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' B' ' 126' ' ' VAL . 0.5 OUTLIER -79.36 -36.81 38.76 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 119.054 -0.498 . . . . 72.33 111.785 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 136' ' ' ILE . 29.9 pt -70.0 -31.51 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.847 0.749 . . . . 32.11 110.145 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.56 -45.84 71.02 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.012 0.525 . . . . 74.33 110.621 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.49 -49.87 75.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.908 0.883 . . . . 72.13 110.694 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 133' ' ' LYS . 10.5 mmpt? -79.5 -69.86 0.55 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.396 -1.274 . . . . 74.44 111.105 -177.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . 0.428 ' HB2' HG13 ' B' ' 136' ' ' ILE . 12.2 mm-40 -91.56 -6.79 51.83 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 111.886 0.328 . . . . 75.54 111.886 -164.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.8 32.56 63.81 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.339 0.399 . . . . 63.11 112.655 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' B' ' 134' ' ' GLU . 80.2 mt -85.95 116.09 64.36 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.671 0.788 . . . . 74.2 109.849 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.524 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 37.9 Cg_endo -69.2 133.95 27.92 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.168 1.912 . . . . 71.55 111.66 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.524 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.0 Cg_endo -43.66 -38.34 9.15 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.809 3.672 . . . . 54.23 114.039 171.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.31 -37.71 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.972 -1.467 . . . . 72.32 111.985 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 137' ' ' PRO . 21.1 mt-30 -106.09 -0.46 24.75 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.425 ' HB2' HD11 ' B' ' 169' ' ' LEU . 5.4 pp0? -85.39 145.13 27.62 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.748 -0.464 . . . . 72.23 109.748 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.33 70.72 1.44 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.008 -1.478 . . . . 74.1 107.008 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 101.21 5.95 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.036 -1.098 . . . . 71.2 108.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.23 149.74 23.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.861 0.864 . . . . 54.23 110.349 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' B' ' 150' ' ' LEU . 14.4 t80 -138.91 102.62 4.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.453 -1.314 . . . . 73.11 107.453 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.48 10.56 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.367 1.067 . . . . 33.5 113.199 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.3 17.59 36.38 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-O 119.809 -0.439 . . . . 74.03 113.958 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 3.8 ptpp? -141.26 123.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.39 -0.596 . . . . 74.42 109.39 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 154.78 39.39 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.817 0.341 . . . . 72.45 110.856 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -98.71 118.86 36.39 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.777 -0.823 . . . . 73.23 108.777 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -77.8 132.09 37.89 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.42 -0.955 . . . . 73.52 108.42 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.597 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 5.5 p-10 -60.56 -29.48 69.18 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.711 0.632 . . . . 74.12 111.602 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -74.49 5.95 26.33 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.354 -0.839 . . . . 60.12 114.341 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -112.77 173.54 6.33 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 117.654 0.727 . . . . 72.3 109.71 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 9.9 m -103.81 163.27 12.45 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.255 1.022 . . . . 73.12 109.931 -173.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.56 -43.72 89.0 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.719 -0.475 . . . . 74.2 109.719 171.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.1 t -67.04 -25.72 66.41 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.983 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.94 -31.27 68.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.34 0.656 . . . . 64.32 111.607 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.458 ' HB2' HD12 ' B' ' 161' ' ' ILE . 89.5 m-85 -106.68 -7.27 17.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.828 0.451 . . . . 74.22 110.384 176.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 51.71 62.59 2.63 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.469 1.107 . . . . 62.21 111.104 -170.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.6 HG22 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -58.51 124.79 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.726 -0.67 . . . . 74.41 109.904 173.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -79.15 154.13 29.54 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.68 0.752 . . . . 60.21 109.849 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.52 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 16.9 ptmt -61.47 129.37 40.83 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 108.399 -0.963 . . . . 51.21 108.399 168.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 39.2 mt-10 70.75 30.6 2.93 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 124.375 1.047 . . . . 74.12 110.628 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.5 m -52.12 144.96 11.25 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.746 0.418 . . . . 63.44 111.578 164.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -114.53 117.84 32.07 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.211 -0.663 . . . . 75.42 109.211 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 167' ' ' LEU . 0.3 OUTLIER -130.32 128.99 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.809 -1.182 . . . . 44.0 107.809 -173.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 18.9 pt -99.5 116.89 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 121.538 0.685 . . . . 72.31 109.934 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 7' ' ' THR . 45.2 tp -82.37 99.16 9.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.261 -0.644 . . . . 74.43 109.261 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -95.41 161.91 13.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.695 1.198 . . . . 72.33 109.926 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.08 162.71 20.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.666 0.386 . . . . 73.14 111.283 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 7.7 t . . . . . 0 N--CA 1.485 1.29 0 C-N-CA 125.532 1.533 . . . . 60.03 114.394 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.748 0 CA-C-O 120.742 0.306 . . . . 74.15 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.25 -54.97 40.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.501 1.121 . . . . 75.15 112.4 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -44.72 -51.7 9.03 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.301 1.041 . . . . 63.12 112.13 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.95 -49.27 38.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.707 -1.133 . . . . 75.03 112.27 -168.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.66 -35.87 77.29 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.789 0.68 . . . . 64.34 110.646 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.43 -40.25 64.38 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 111.82 0.304 . . . . 64.14 111.82 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.81 -26.7 44.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.277 0.231 . . . . 73.52 110.839 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.448 ' HG ' ' HE2' ' C' ' 798' ' ' TYR . 2.8 mp -65.99 -47.72 73.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.04 0.536 . . . . 63.03 109.786 169.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.75 -37.21 86.5 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.829 0.705 . . . . 72.41 109.519 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -44.93 83.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.46 0.704 . . . . 72.23 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.631 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 21.0 m-30 -59.27 -41.68 89.44 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.697 0.623 . . . . 63.25 110.023 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.411 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 32.1 t-105 -68.29 -29.38 68.14 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.121 -0.945 . . . . 74.52 111.092 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 86.0 m -67.62 -38.03 83.35 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.261 0.482 . . . . 42.41 110.001 174.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.631 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 45.3 m-85 -62.64 -55.89 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.862 -0.422 . . . . 72.13 109.862 175.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.818 HD11 HD11 ' C' ' 777' ' ' LEU . 47.9 mt -64.16 -42.72 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.038 0.935 . . . . 65.34 111.296 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.48 -55.43 15.62 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.897 -0.779 . . . . 72.45 108.897 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -67.16 -26.48 66.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.771 0.669 . . . . 75.35 112.792 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.554 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.7 ppp? -75.06 -52.33 11.31 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.564 -0.902 . . . . 71.32 108.564 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.44 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 80.8 mt -68.82 -13.5 62.45 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.811 0.845 . . . . 74.21 113.013 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 50.5 m -53.96 -34.01 58.51 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.415 1.086 . . . . 64.41 110.544 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' B' ' 108' ' ' VAL . 1.9 p30 -123.21 -38.12 2.62 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.254 1.422 . . . . 63.04 110.294 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' C' ' 761' ' ' MET . 53.5 mt -83.7 46.78 1.2 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.789 1.235 . . . . 72.45 110.838 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 0.1 OUTLIER -66.47 93.57 0.24 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.627 -0.715 . . . . 70.41 109.338 -178.028 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . 0.409 ' O ' HD23 ' C' ' 768' ' ' LEU . 64.9 m 119.06 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 128.017 2.527 . . . . 63.33 111.132 169.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.46 ' HB3' ' HD2' ' C' ' 772' ' ' ARG . 54.9 mt -128.35 143.85 51.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.02 0.528 . . . . 73.13 110.523 175.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 49.1 m -60.08 151.64 26.16 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.816 0.846 . . . . 71.05 111.85 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.33 -23.11 63.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 114.8 -1.091 . . . . 74.11 111.644 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.72 -51.55 65.24 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.061 0.545 . . . . 64.14 111.02 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.46 ' HD2' ' HB3' ' C' ' 768' ' ' LEU . 62.7 mtt180 -61.53 -56.65 17.66 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.913 0.885 . . . . 71.13 110.919 -176.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -38.44 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 115.457 -0.792 . . . . 62.32 111.327 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 64.9 t80 -63.07 -45.99 89.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.524 0.33 . . . . 75.3 110.205 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -41.19 92.45 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 123.694 0.621 . . . . 73.54 111.32 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 28.4 mtm -64.63 -52.44 57.41 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.534 0.521 . . . . 55.11 110.368 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.818 HD11 HD11 ' C' ' 758' ' ' ILE . 26.4 mt -53.79 -39.65 65.64 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.242 0.617 . . . . 74.34 111.195 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.9 tpt180 -67.16 -43.35 82.51 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.081 -0.963 . . . . 70.14 110.106 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -54.34 38.59 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 123.721 0.638 . . . . 73.0 110.095 171.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.19 -23.03 61.96 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.57 HG11 HG12 ' C' ' 790' ' ' ILE . 2.2 p -84.35 -33.45 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.124 0.17 . . . . 75.31 110.915 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.76 -26.14 6.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 C-N-CA 122.239 0.216 . . . . 72.42 111.462 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 14.7 p -70.01 -21.8 63.17 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 111.947 0.351 . . . . 73.25 111.947 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -122.46 179.9 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.233 -0.747 . . . . 71.41 111.233 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.95 8.02 4.29 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.822 2.348 . . . . 64.33 112.954 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -44.65 111.42 0.31 Allowed 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.121 1.768 . . . . 61.21 113.518 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 17.9 mt 60.83 9.96 2.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.294 1.038 . . . . 71.12 113.706 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 57.38 38.66 28.48 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.886 0.874 . . . . 32.31 111.094 -170.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 72.23 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.04 1.736 . . . . 62.43 111.805 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.57 HG12 HG11 ' C' ' 781' ' ' VAL . 2.7 pt -69.67 167.73 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.628 1.171 . . . . 62.33 111.438 173.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.58 166.9 17.15 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.009 -0.996 . . . . 61.13 108.468 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.36 -38.89 92.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.864 0.865 . . . . 65.11 112.138 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -36.02 82.93 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.076 0.465 . . . . 72.25 110.388 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.71 -35.68 51.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.172 -0.922 . . . . 61.04 109.813 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.563 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.76 -57.61 7.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.989 1.316 . . . . 71.44 109.374 177.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -60.93 -41.43 96.17 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.656 -1.611 . . . . 71.54 110.189 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.0 92.76 Favored Glycine 0 C--N 1.345 1.067 0 O-C-N 124.188 0.93 . . . . 55.24 113.473 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.448 ' HE2' ' HG ' ' C' ' 751' ' ' LEU . 16.9 t80 -64.09 -53.43 49.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.59 0.71 . . . . 62.43 110.117 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.45 ' O ' HG23 ' C' ' 803' ' ' VAL . 15.4 mt -64.65 -33.17 75.32 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.619 -1.173 . . . . 55.05 111.768 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . 0.522 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 10.8 tt0 -59.33 -52.85 63.88 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 124.314 1.009 . . . . 65.13 108.637 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.32 85.58 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 124.292 0.995 . . . . 50.51 110.705 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 2.5 mptp? -59.27 -43.8 92.49 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.216 0.947 . . . . 52.13 112.536 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 799' ' ' LEU . 72.9 t -61.1 -43.1 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 118.507 0.594 . . . . 74.13 110.382 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . 0.522 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 10.9 mpt_? -74.64 -18.13 60.59 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.3 1.04 . . . . 73.33 111.767 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.87 -6.96 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.218 1.007 . . . . 72.23 109.896 175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 66.61 14.01 9.57 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.882 1.673 . . . . 62.13 111.16 -171.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -80.57 -26.84 37.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.292 1.437 . . . . 71.32 111.192 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.646 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.3 OUTLIER -123.88 143.25 50.47 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.869 0.868 . . . . 65.13 110.034 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . 0.61 ' HB ' ' HG3' ' C' ' 816' ' ' ARG . 78.7 t -108.47 133.34 53.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 107.761 -1.2 . . . . 75.43 107.761 164.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -113.0 111.26 21.87 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.977 -1.12 . . . . 64.34 107.977 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -88.54 -147.53 0.16 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.181 -1.044 . . . . 75.54 108.181 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.88 77.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.974 0.806 . . . . 75.2 110.794 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.79 15.27 79.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.703 -0.68 . . . . 73.4 113.658 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 20.1 m -126.13 141.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.111 0.564 . . . . 72.51 109.722 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -96.39 143.52 27.36 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.219 0.607 . . . . 71.01 110.585 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.668 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 2.8 ptp180 -151.93 141.33 21.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.862 -1.063 . . . . 73.03 108.413 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 95.0 mt -81.08 131.0 60.71 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 108.805 -0.813 . . . . 75.33 108.805 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . 0.442 ' HD3' HG23 ' C' ' 809' ' ' VAL . 8.9 Cg_endo . . . . . 0 C--N 1.377 2.063 0 C-N-CA 123.081 2.521 . . . . 61.31 112.243 174.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 110.921 -0.871 . . . . 53.42 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.86 158.6 44.29 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 14.4 mp0 -107.45 167.56 9.85 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.233 0.469 . . . . 70.12 111.592 -171.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' B' ' 165' ' ' SER . 21.5 pt -142.09 161.44 20.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 C-N-CA 123.899 0.88 . . . . 75.32 110.031 171.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' HD23 ' B' ' 167' ' ' LEU . 38.1 m-85 -119.11 110.51 17.15 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 124.344 1.058 . . . . 73.31 109.463 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 55.8 t -93.47 96.69 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.714 -0.847 . . . . 74.32 108.714 -174.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 5.8 m-20 -75.32 96.41 3.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.89 0.876 . . . . 63.42 108.875 -175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.447 HG23 ' HB2' ' B' ' 111' ' ' LYS . 7.8 t -91.64 110.31 21.63 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.258 -0.645 . . . . 74.14 109.258 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.501 HG21 HD12 ' C' ' 765' ' ' LEU . 7.2 p -111.96 133.33 57.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.477 0.656 . . . . 53.32 110.377 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -101.71 93.78 5.51 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.204 -1.406 . . . . 54.11 107.204 169.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -104.2 103.87 13.7 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 106.401 -1.703 . . . . 75.05 106.401 167.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -161.03 139.04 9.52 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.657 0.598 . . . . 74.32 111.602 -167.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 4.0 m -85.4 124.57 32.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.774 0.829 . . . . 55.45 109.669 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 44.5 mm -95.19 141.82 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -111.09 121.89 46.49 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.255 -0.646 . . . . 74.54 109.255 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 HG23 ' B' ' 105' ' ' VAL . 1.2 pt? -137.53 166.85 22.9 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.77 0.828 . . . . 34.52 108.839 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.64 148.89 30.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.385 0.674 . . . . 55.12 109.57 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.93 162.76 2.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.743 -1.117 . . . . 70.15 108.16 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.06 151.08 57.84 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 109.067 -0.716 . . . . 61.34 109.067 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.62 -23.52 76.01 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.603 2.202 . . . . 64.53 112.934 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -80.87 -12.23 59.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.307 0.643 . . . . 41.11 112.712 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.35 158.85 33.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.616 0.366 . . . . 70.24 110.687 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 1.6 p -88.41 165.07 15.19 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.455 0.702 . . . . 65.33 110.812 169.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 50' ' ' LEU . 34.1 mm -74.56 -26.55 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-N 115.4 -0.818 . . . . 73.13 110.179 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.79 -30.1 71.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.037 0.535 . . . . 71.23 110.399 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 37.7 t30 -57.46 -48.78 78.28 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 123.633 0.583 . . . . 73.03 109.621 171.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.26 -42.3 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 C-N-CA 123.933 0.893 . . . . 64.11 111.011 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -64.95 -33.87 77.07 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 120.961 0.41 . . . . 74.33 110.024 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.71 64.61 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.795 -0.639 . . . . 73.21 111.498 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 74.1 mmtt -64.93 -50.07 67.93 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.112 0.565 . . . . 72.13 109.873 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.563 HG21 HD11 ' A' ' 69' ' ' LEU . 2.6 pp -69.63 -32.12 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 122.316 0.246 . . . . 72.51 111.232 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -65.81 -42.84 90.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.853 0.359 . . . . 73.42 111.083 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.17 -46.35 56.74 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.489 -0.778 . . . . 74.43 111.256 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -90.8 -50.91 5.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.895 -1.048 . . . . 72.42 111.723 -170.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.655 ' HG2' HG21 ' B' ' 107' ' ' THR . 2.7 mp0 -85.97 -29.38 23.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.325 -0.25 . . . . 71.52 110.325 -176.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.95 30.91 21.99 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.088 0.242 . . . . 74.12 113.215 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 HD13 ' A' ' 69' ' ' LEU . 48.8 mt -92.64 120.13 67.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 123.415 0.686 . . . . 75.13 110.041 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -61.22 121.22 9.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.124 2.549 . . . . 70.24 111.962 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 19.4 Cg_endo -55.48 -32.52 82.72 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.953 3.102 . . . . 65.43 113.687 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.19 -44.13 96.26 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 124.217 0.948 . . . . 63.33 111.672 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.88 -14.58 58.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.346 0.658 . . . . 72.11 111.642 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -85.97 139.78 30.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.393 1.477 . . . . 73.12 110.762 -177.111 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -146.32 97.77 2.98 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.098 0.959 . . . . 75.02 108.864 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -77.62 129.19 35.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.223 1.009 . . . . 73.05 110.091 -178.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -128.87 136.57 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 N-CA-C 108.859 -0.793 . . . . 63.34 108.859 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 50' ' ' LEU . 11.0 t80 -129.22 119.69 24.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.289 1.436 . . . . 71.11 108.24 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 18.62 7.71 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.273 0.983 . . . . 65.01 112.643 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.02 14.92 53.97 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.236 0.454 . . . . 34.03 114.236 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -125.87 130.28 51.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.765 0.826 . . . . 61.5 110.079 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -72.27 140.58 48.68 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.369 0.668 . . . . 75.31 111.484 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.52 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.8 mm? -97.82 98.01 9.47 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.241 1.016 . . . . 54.41 108.717 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -82.82 129.04 34.94 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.84 -0.8 . . . . 61.34 108.84 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.7 p-10 -59.87 -27.46 66.7 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.982 1.313 . . . . 74.11 113.765 -165.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -2.1 81.54 Favored Glycine 0 N--CA 1.471 1.027 0 N-CA-C 114.254 0.461 . . . . 53.52 114.254 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.61 178.45 7.06 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.353 0.661 . . . . 73.22 110.565 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 19.8 m -110.54 156.94 20.2 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.873 1.269 . . . . 61.4 109.023 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 HD13 ' A' ' 23' ' ' ILE . 3.7 mm? -61.24 -40.35 93.7 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.075 0.55 . . . . 71.22 109.824 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 t -63.81 -30.92 71.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.868 0.867 . . . . 74.11 112.091 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.99 -28.08 68.76 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.261 0.625 . . . . 64.34 110.837 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -100.02 -7.42 25.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.331 0.652 . . . . 72.31 111.438 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 54.85 43.84 29.35 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.995 0.918 . . . . 53.23 110.73 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG13 HD13 ' A' ' 56' ' ' LEU . 5.3 mm -55.94 126.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.023 0.929 . . . . 74.22 110.953 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -94.36 178.47 5.61 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.894 0.878 . . . . 62.25 110.109 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -87.11 161.73 17.95 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 109.688 -0.486 . . . . 75.01 109.688 169.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 40.85 31.07 0.11 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.987 2.115 . . . . 74.43 113.735 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.442 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.3 m -76.86 133.3 39.36 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.225 -0.898 . . . . 53.12 110.429 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.88 110.38 22.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.567 0.699 . . . . 62.4 110.029 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.2 mp -109.69 165.02 12.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.101 1.36 . . . . 74.44 107.536 175.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.0 tt -140.55 134.24 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.479 0.657 . . . . 71.43 111.43 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.778 HD12 HG22 ' B' ' 107' ' ' THR . 45.4 mt -87.78 116.04 25.65 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.739 -1.119 . . . . 64.12 108.64 168.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' HB3' ' HB1' ' C' ' 760' ' ' ALA . 82.7 mt -94.33 141.71 28.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.766 -1.198 . . . . 70.22 107.766 173.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 14.8 tp -85.96 162.48 18.52 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.031 -0.729 . . . . 74.25 109.031 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -35.52 100.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.661 1.184 . . . . 70.21 113.404 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' C' ' 760' ' ' ALA . 0.3 OUTLIER -74.38 -36.08 63.52 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.039 -0.982 . . . . 74.13 109.476 166.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.117 1.367 . . . . 62.34 108.898 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 110.914 -0.874 . . . . 62.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.77 145.0 30.73 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.848 -0.797 . . . . 73.25 108.848 173.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.1 122.73 47.48 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.303 -0.999 . . . . 71.14 108.303 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.28 160.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.186 0.595 . . . . 74.2 110.903 -170.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 45.0 m-85 -110.94 108.17 17.85 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 108.543 -0.91 . . . . 74.3 108.543 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.538 HG23 HD21 ' A' ' 15' ' ' LEU . 97.5 t -106.99 108.63 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 107.976 -1.12 . . . . 71.25 107.976 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 5.4 t0 -70.96 145.76 49.89 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.059 -0.348 . . . . 62.45 110.059 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.778 HG22 HD12 ' A' ' 69' ' ' LEU . 66.6 p -133.6 138.06 45.78 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 123.457 0.703 . . . . 62.32 110.654 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.445 HG23 HD13 ' C' ' 765' ' ' LEU . 6.0 p -115.4 127.18 73.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 O-C-N 124.677 1.235 . . . . 63.43 108.814 167.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -141.09 85.88 2.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.528 -0.545 . . . . 75.32 109.528 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -86.89 134.92 33.48 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.841 -0.8 . . . . 75.11 108.841 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.447 ' HB2' HG23 ' A' ' 7' ' ' THR . 99.0 mttt -141.99 153.52 44.34 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.173 1.389 . . . . 70.12 108.343 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.3 m -116.27 117.16 29.22 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.278 -0.638 . . . . 75.23 109.278 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 55.8 mt -91.39 157.99 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.369 -0.974 . . . . 61.12 108.369 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 63.9 m -137.98 125.76 22.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.631 0.772 . . . . 71.33 109.519 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' B' ' 129' ' ' LYS . 0.7 OUTLIER -141.71 166.77 23.82 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.248 -0.649 . . . . 74.11 109.248 173.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 29.5 tt0 -108.27 139.47 42.91 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.637 -0.875 . . . . 72.51 108.637 168.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 170.52 11.82 Favored 'Isoleucine or valine' 0 C--O 1.248 1.007 0 C-N-CA 125.483 1.513 . . . . 74.04 109.649 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -113.66 142.3 27.45 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 109.167 -0.679 . . . . 74.11 109.167 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.75 -32.02 38.32 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 123.093 2.529 . . . . 74.22 111.773 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -78.79 -16.8 56.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.264 1.026 . . . . 73.2 111.729 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 157.34 23.42 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.923 0.489 . . . . 62.13 110.653 -176.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -84.17 165.5 18.38 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.145 -0.934 . . . . 71.41 111.422 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 39.9 mm -70.51 -21.53 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.349 -0.842 . . . . 63.41 110.092 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.576 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 11.6 pt-20 -58.26 -30.89 66.93 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.848 0.459 . . . . 75.02 110.735 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -65.61 -43.67 88.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 64.31 110.866 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.5 -50.0 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.387 0.675 . . . . 65.42 110.063 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 53.3 pttt -64.81 -40.38 95.11 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 120.914 0.387 . . . . 74.31 110.887 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.13 88.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 115.556 -0.747 . . . . 71.33 110.639 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.787 ' HD3' HD13 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -71.9 -40.98 68.48 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 123.442 0.463 . . . . 72.42 111.413 -177.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.454 ' HB ' HD12 ' B' ' 136' ' ' ILE . 27.8 pt -66.3 -39.37 84.03 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 CA-C-N 118.004 0.366 . . . . 52.5 110.068 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.403 HE21 ' HD2' ' B' ' 138' ' ' PRO . 36.3 tt0 -66.87 -47.02 73.18 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.585 0.354 . . . . 71.45 111.451 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.28 -52.47 53.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.093 0.957 . . . . 62.14 111.153 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' B' ' 134' ' ' GLU . 75.9 mmtt -82.16 -56.75 3.74 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.761 -1.109 . . . . 71.12 110.521 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' B' ' 133' ' ' LYS . 55.1 mt-10 -102.89 -4.89 24.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.84 -0.618 . . . . 73.43 111.457 -160.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.4 38.19 90.94 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.569 0.543 . . . . 45.42 113.656 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB ' ' B' ' 130' ' ' ILE . 67.5 mt -99.43 103.0 18.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.361 1.064 . . . . 53.54 108.915 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -72.94 109.82 2.9 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.871 2.38 . . . . 65.01 111.255 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.621 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.8 Cg_endo -57.2 -40.03 85.92 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.663 2.909 . . . . 62.24 114.04 -172.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.07 -39.17 75.79 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.262 -0.881 . . . . 62.25 110.747 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -11.85 59.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.858 0.863 . . . . 75.42 110.824 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -110.57 171.27 7.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.997 0.519 . . . . 63.33 110.126 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.68 ' HB2' ' HB2' ' B' ' 170' ' ' LEU . 11.2 mmm180 -124.76 104.45 8.65 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.428 -1.693 . . . . 62.31 106.428 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.47 99.86 3.69 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.12 -1.437 . . . . 72.43 107.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.13 118.7 37.28 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.336 0.654 . . . . 52.22 109.38 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.593 ' HB2' HD21 ' B' ' 150' ' ' LEU . 57.2 t80 -110.94 101.99 10.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.443 0.697 . . . . 75.14 109.253 -176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.51 29.27 8.79 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.388 0.675 . . . . 71.31 112.509 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.45 60.17 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 115.078 0.791 . . . . 63.22 115.078 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -127.02 122.18 33.72 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.138 0.969 . . . . 54.41 109.799 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -76.01 147.56 38.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.569 0.348 . . . . 54.12 110.937 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.0 OUTLIER -91.77 124.03 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.097 0.559 . . . . 74.44 110.047 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.659 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 3.3 mp0 -79.6 133.75 36.44 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 107.288 -1.375 . . . . 75.34 107.288 167.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -58.7 -31.0 67.84 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.779 0.832 . . . . 75.05 112.83 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.02 -1.99 90.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.821 -0.627 . . . . 64.43 114.067 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.659 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 15.9 mmt85 -82.12 176.14 9.75 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 117.15 0.475 . . . . 65.4 110.116 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.4 m -105.74 162.25 13.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.918 0.887 . . . . 72.04 109.102 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.481 ' O ' HG12 ' B' ' 161' ' ' ILE . 4.1 mm? -64.49 -49.39 71.53 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 109.387 -0.597 . . . . 71.32 109.387 172.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.8 t -60.45 -24.43 65.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.28 0.632 . . . . 74.31 112.686 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.5 -38.04 58.68 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.733 0.813 . . . . 75.51 110.976 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -97.36 -10.04 26.32 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.029 -0.987 . . . . 62.14 111.791 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.77 64.58 1.27 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 122.129 0.966 . . . . 73.11 109.355 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.481 HG12 ' O ' ' B' ' 156' ' ' LEU . 11.7 mm -73.55 121.64 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 114.526 -1.215 . . . . 74.53 109.813 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.16 150.79 23.72 Favored 'General case' 0 C--O 1.25 1.131 0 CA-C-O 121.581 0.705 . . . . 71.52 110.122 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -62.68 129.43 40.51 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 115.887 -0.597 . . . . 63.35 109.64 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 69.51 33.1 3.2 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.476 1.11 . . . . 73.43 110.118 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.583 ' HB2' HG22 ' A' ' 3' ' ' ILE . 69.0 m -55.1 162.6 1.31 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.098 0.407 . . . . 55.45 112.098 161.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.12 133.36 46.59 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.489 0.716 . . . . 72.41 109.305 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' B' ' 145' ' ' PHE . 1.8 pt? -144.79 128.51 17.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.535 0.734 . . . . 71.01 110.752 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 34.3 pt -95.23 140.08 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 115.391 -0.822 . . . . 75.43 110.429 -172.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.448 HD11 HD13 ' B' ' 136' ' ' ILE . 78.3 mt -86.7 115.76 24.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.912 -1.04 . . . . 44.54 109.579 170.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . 0.68 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 84.1 mt -95.33 159.56 14.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.812 -1.181 . . . . 71.03 107.812 168.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.82 170.17 16.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.254 0.479 . . . . 72.14 110.333 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.487 1.399 0 C-N-CA 125.01 1.324 . . . . 54.24 112.72 171.813 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 111.98 0.363 . . . . 52.13 111.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.5 -63.13 1.2 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.298 1.439 . . . . 64.33 111.028 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -51.68 -39.07 57.6 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.895 1.372 . . . . 72.11 111.622 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 41.1 mtpt -68.46 -63.08 1.13 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.476 0.71 . . . . 73.2 111.035 -173.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.64 -42.7 97.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.22 -0.9 . . . . 73.21 111.17 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.52 -41.71 96.22 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.043 0.839 . . . . 74.21 110.126 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -57.79 -51.45 69.54 Favored 'General case' 0 C--N 1.368 1.413 0 O-C-N 123.59 0.556 . . . . 64.21 110.942 173.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 67.9 mt -60.52 -40.78 92.7 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.739 0.649 . . . . 64.42 110.976 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.63 -36.54 78.75 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.992 -1.004 . . . . 72.41 109.346 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -76.09 -36.78 58.79 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.122 0.969 . . . . 75.23 110.417 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.51 -43.01 99.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.122 0.969 . . . . 71.03 108.71 172.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.41 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 34.9 t-105 -67.46 -33.39 75.04 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.28 -1.327 . . . . 75.14 110.958 175.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -64.24 -36.35 83.79 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.89 0.476 . . . . 74.45 109.817 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -61.06 -61.42 2.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.782 0.433 . . . . 72.15 111.057 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.23 -31.63 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 72.23 111.575 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -74.15 -49.71 22.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.674 0.79 . . . . 73.12 109.503 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -67.55 -27.56 67.06 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 60.53 112.639 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 20.0 ptm -78.84 -59.53 2.74 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.264 -1.013 . . . . 71.22 108.264 172.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.864 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 16.4 mt -64.19 -16.3 61.66 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.096 1.147 . . . . 74.32 114.096 -172.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . 0.536 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.1 t -68.11 -17.99 64.52 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.25 0.548 . . . . 75.15 111.848 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.528 HD22 HG23 ' C' ' 763' ' ' THR . 4.2 p30 -133.51 -44.83 0.82 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.99 0.916 . . . . 63.0 109.736 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.543 HD23 HD11 ' C' ' 768' ' ' LEU . 11.4 tp -80.18 57.15 2.64 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 126.675 1.99 . . . . 75.4 108.59 175.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' C' ' 766' ' ' GLU . 9.3 pt-20 -85.49 48.87 1.65 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.489 1.516 . . . . 74.53 112.612 -168.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 67.6 m -167.93 83.14 0.19 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.617 1.167 . . . . 62.11 108.827 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.543 HD11 HD23 ' C' ' 765' ' ' LEU . 90.1 mt -132.05 141.49 49.23 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.641 0.608 . . . . 64.34 112.641 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.3 m -78.18 147.46 34.49 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 115.528 -0.76 . . . . 61.1 109.164 166.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.429 HD11 HD12 ' C' ' 795' ' ' LEU . 20.4 tp -60.96 -31.42 70.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.919 0.888 . . . . 71.22 111.153 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.32 -52.55 61.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.87 0.868 . . . . 74.1 110.715 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -52.11 -56.66 13.09 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.367 1.042 . . . . 74.12 111.157 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.435 HD11 HD21 ' C' ' 799' ' ' LEU . 2.3 pp -75.55 -25.35 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.044 -0.98 . . . . 71.24 111.446 -171.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.571 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 37.4 t80 -62.95 -52.22 63.86 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.297 -0.631 . . . . 74.35 109.297 170.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.35 -38.28 86.39 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 124.023 0.827 . . . . 64.12 111.328 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 81.0 mtp -63.78 -56.0 18.86 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.842 0.457 . . . . 74.22 110.61 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.73 -29.47 66.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.05 0.54 . . . . 74.53 111.671 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.66 -43.51 80.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.108 0.963 . . . . 73.33 109.696 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tpt -58.3 -51.2 70.8 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.619 0.768 . . . . 65.13 110.747 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -70.61 -29.35 65.72 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.639 0.375 . . . . 74.21 111.85 -173.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 5.7 p -80.53 -32.81 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-O 119.621 -0.228 . . . . 72.11 110.527 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.32 -30.81 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 118.191 0.45 . . . . 71.14 110.676 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 22.5 p -77.26 -20.25 55.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.49 0.316 . . . . 75.42 111.796 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -124.05 97.35 0.55 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.469 -1.053 . . . . 54.43 110.469 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 8.28 0.22 Allowed 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.588 2.859 . . . . 73.22 115.378 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.7 65.03 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.938 1.295 . . . . 63.22 112.514 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . 0.451 HD21 HD21 ' C' ' 751' ' ' LEU . 5.2 mp -104.44 6.25 34.79 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 62.0 111.901 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.24 -77.24 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.069 . . . . 51.34 111.715 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.61 112.31 1.43 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.293 0.637 . . . . 75.45 109.486 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 11.8 pt -70.83 161.08 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.984 -0.448 . . . . 74.33 109.861 172.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . 0.48 ' HB3' HE21 ' C' ' 793' ' ' GLN . 15.8 t70 -126.96 171.9 10.92 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.567 0.747 . . . . 61.22 109.013 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.37 -38.46 71.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.832 0.853 . . . . 74.22 111.938 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . 0.48 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.8 pp0? -69.36 -33.01 72.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.012 0.525 . . . . 72.34 111.71 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -77.77 -37.89 47.97 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.648 0.779 . . . . 73.12 109.922 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.571 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -71.35 -50.65 30.13 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.585 1.154 . . . . 70.54 109.394 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -58.34 -40.35 81.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.592 1.157 . . . . 72.32 110.402 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -56.44 -43.73 90.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.25 0.969 . . . . 62.03 113.07 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.3 t80 -62.38 -46.72 87.34 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.366 0.666 . . . . 73.02 110.598 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.435 HD21 HD11 ' C' ' 773' ' ' ILE . 3.9 mm? -65.75 -47.47 75.12 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.523 -0.762 . . . . 74.33 112.461 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.89 74.83 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.717 -0.475 . . . . 64.43 109.717 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -56.15 -61.71 2.21 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 123.879 0.737 . . . . 70.33 109.737 167.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.465 ' HD2' ' HG2' ' C' ' 807' ' ' GLN . 74.9 mmtt -55.42 -38.2 68.64 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.286 0.847 . . . . 71.54 113.286 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.61 -47.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 109.717 -0.475 . . . . 75.05 109.717 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.35 -8.92 58.99 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.927 -0.579 . . . . 74.21 112.419 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.55 -2.75 55.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.023 0.929 . . . . 73.22 111.327 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.28 13.68 9.46 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 125.583 1.553 . . . . 65.32 111.9 -175.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . 0.465 ' HG2' ' HD2' ' C' ' 802' ' ' LYS . 6.2 tp-100 -83.26 -25.91 31.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.803 1.241 . . . . 41.22 110.59 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.77 142.13 51.09 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.95 0.9 . . . . 50.43 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.64 139.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.227 1.011 . . . . 72.14 109.19 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.96 114.61 27.16 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 124.738 1.215 . . . . 74.21 108.987 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 36.3 t -91.78 -145.41 0.2 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.27 -1.011 . . . . 71.52 108.27 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.08 76.5 0.94 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.548 0.613 . . . . 73.14 110.897 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.21 14.5 81.83 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 115.482 -0.781 . . . . 62.24 113.667 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.0 146.56 31.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 122.909 0.484 . . . . 62.35 110.48 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -100.52 149.65 23.48 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 123.736 0.814 . . . . 55.15 110.82 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.573 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.0 OUTLIER -156.75 135.91 11.99 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.353 -0.84 . . . . 75.1 108.783 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.864 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 9.0 tp -73.99 118.77 72.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-O 118.879 -0.582 . . . . 63.42 110.022 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.381 2.283 0 C-N-CA 122.699 2.266 . . . . 61.41 111.01 176.644 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.132 -0.387 . . . . 51.14 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.78 153.08 35.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.433 0.693 . . . . 73.31 109.215 -175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.521 HE21 ' H ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -110.95 126.32 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.301 -1.0 . . . . 63.21 108.301 -173.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -118.45 157.2 20.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 121.559 0.695 . . . . 74.22 110.129 -170.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.2 m-85 -105.76 118.49 36.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.598 -1.183 . . . . 71.21 108.51 177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG23 HD21 ' B' ' 115' ' ' LEU . 65.5 t -100.31 91.65 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.81 -1.552 . . . . 75.42 106.81 173.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' B' ' 112' ' ' THR . 23.0 t0 -93.9 102.64 14.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.486 -1.234 . . . . 71.15 109.11 -174.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -90.26 133.84 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.856 0.36 . . . . 73.11 110.575 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -92.99 131.12 40.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 108.754 -0.832 . . . . 63.32 108.754 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.79 111.47 8.71 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.06 -1.829 . . . . 61.0 106.06 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.65 ' HE1' HG22 ' B' ' 108' ' ' VAL . 0.0 OUTLIER -81.15 104.19 11.46 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.62 -1.252 . . . . 74.15 107.62 177.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -106.8 109.02 20.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.988 0.915 . . . . 72.44 110.142 -168.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -78.13 113.79 16.4 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 109.515 -0.55 . . . . 72.13 109.515 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 41.3 mm -94.47 145.9 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 124.193 0.997 . . . . 71.42 109.747 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.1 m -108.97 128.23 54.76 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.051 -0.722 . . . . 70.31 109.051 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.676 HD23 ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -147.84 147.46 29.82 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.558 0.743 . . . . 73.45 109.706 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 40.3 tt0 -92.05 147.33 23.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.952 0.406 . . . . 65.34 110.05 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -150.28 170.81 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 125.543 1.537 . . . . 64.31 107.791 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -127.11 149.81 70.45 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.574 -0.704 . . . . 62.04 110.397 -174.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.96 -23.72 46.63 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.237 1.958 . . . . 73.11 112.924 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 m -77.28 -21.41 53.66 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.821 0.7 . . . . 71.24 112.359 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.52 158.21 15.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.761 0.255 . . . . 54.24 110.899 -172.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -78.02 162.72 26.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 63.12 111.399 176.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 50' ' ' LEU . 32.7 mm -59.55 -26.7 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.193 0.997 . . . . 61.42 110.87 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.87 -22.23 47.09 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.234 -0.894 . . . . 65.22 112.234 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.39 -50.77 50.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.69 0.796 . . . . 74.4 110.781 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.82 -48.27 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.614 -0.884 . . . . 74.31 108.614 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.71 -54.89 16.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.703 -1.589 . . . . 73.41 111.557 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.89 74.07 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.269 -0.878 . . . . 64.52 111.675 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HD2' HD23 ' A' ' 15' ' ' LEU . 16.6 ptpt -76.71 -39.99 50.17 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 123.351 0.407 . . . . 75.35 111.601 -176.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.614 ' HB ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -67.68 -37.87 79.39 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 109.403 -0.591 . . . . 74.04 109.403 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -63.43 -47.1 83.33 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.879 -1.055 . . . . 71.44 111.239 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.93 -51.33 33.8 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.826 0.85 . . . . 65.34 110.933 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -77.37 -36.91 53.13 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.01 -0.995 . . . . 73.32 112.567 -171.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.51 -0.98 8.61 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.836 1.05 . . . . 72.43 113.836 -173.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.09 28.69 72.66 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 121.777 -0.249 . . . . 74.12 113.165 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.614 HD12 ' HB ' ' A' ' 30' ' ' ILE . 46.2 mt -80.44 111.71 25.01 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 108.722 -0.844 . . . . 71.24 108.722 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.75 104.2 1.83 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.04 2.493 . . . . 73.41 112.676 -170.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.78 -31.47 20.37 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.611 2.207 . . . . 53.52 114.235 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.53 -24.09 67.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.069 0.548 . . . . 63.52 110.176 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.523 HE21 HD11 ' A' ' 71' ' ' LEU . 23.0 tt0 -109.33 0.02 19.31 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.2 1.0 . . . . 74.24 111.176 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.526 HE21 ' HB3' ' A' ' 69' ' ' LEU . 11.4 mm100 -118.97 106.83 12.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.113 0.965 . . . . 74.52 109.748 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 70' ' ' LEU . 13.8 ptm180 -80.07 105.46 11.36 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.269 0.557 . . . . 72.21 109.637 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.8 mp -79.99 138.06 36.97 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.139 -0.689 . . . . 62.05 109.139 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -138.26 146.93 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 108.966 -0.753 . . . . 74.35 108.966 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.81 97.95 4.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.848 1.259 . . . . 74.02 108.575 -177.12 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.06 30.99 17.26 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.526 0.73 . . . . 72.12 112.244 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.44 17.01 40.9 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 114.798 -1.092 . . . . 63.3 114.568 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -119.0 112.87 20.12 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 117.759 0.779 . . . . 74.14 109.288 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -70.68 133.87 47.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.069 0.548 . . . . 74.1 110.077 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.625 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 mt -94.26 117.36 30.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.172 0.589 . . . . 63.31 111.45 -171.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -104.55 129.3 52.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.391 1.076 . . . . 74.1 108.739 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 39.9 m-20 -56.53 -36.3 69.07 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.521 1.129 . . . . 75.42 113.772 -168.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.35 -14.69 77.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 123.57 0.544 . . . . 75.24 113.751 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 37.0 ttm180 -92.99 165.4 12.88 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.218 1.007 . . . . 73.32 108.393 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 10.0 m -103.77 157.69 16.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.916 0.486 . . . . 73.03 111.566 -167.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 23' ' ' ILE . 4.0 mm? -61.49 -45.82 92.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.412 1.085 . . . . 75.5 110.582 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 t -68.04 -24.07 65.04 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.517 0.562 . . . . 75.42 112.517 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.61 -31.99 71.13 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.002 0.521 . . . . 55.02 111.016 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 95.6 m-85 -97.36 -10.74 25.0 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.765 0.426 . . . . 63.44 110.626 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 60.43 64.27 1.23 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.397 1.079 . . . . 74.03 110.133 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.9 mp -68.49 101.19 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 108.405 -0.961 . . . . 73.21 108.405 169.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.1 166.91 21.03 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.685 -1.143 . . . . 74.44 109.606 168.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -73.66 150.24 41.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.94 0.496 . . . . 63.13 110.651 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 55.0 24.07 5.64 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.069 2.148 . . . . 75.45 113.209 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 t -78.65 152.22 31.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.092 0.557 . . . . 74.33 110.246 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.7 106.91 17.56 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.573 0.701 . . . . 61.05 111.968 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.7 tt -90.17 149.18 22.54 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.856 -1.535 . . . . 65.13 106.856 169.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.0 tt -135.8 128.3 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.092 0.557 . . . . 52.14 109.808 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 ' HB3' HE21 ' A' ' 41' ' ' GLN . 6.1 mp -97.48 113.58 25.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.949 0.9 . . . . 72.43 108.961 176.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . 2.2 mm? -95.59 141.0 29.61 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.8 -1.555 . . . . 62.12 106.8 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 HE21 ' A' ' 40' ' ' GLN . 30.9 tp -73.49 167.42 21.34 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.447 0.567 . . . . 73.4 109.597 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -51.11 97.67 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.097 0.959 . . . . 72.5 110.684 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.65 -68.99 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 113.63 -1.623 . . . . 73.54 108.372 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.3 mmp_? . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.048 1.339 . . . . 75.15 108.113 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.923 -0.471 . . . . 52.33 111.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.54 142.91 33.79 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.144 0.577 . . . . 64.22 109.695 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -114.74 122.98 48.08 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.117 -0.697 . . . . 73.1 109.117 -174.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.414 HG21 HG23 ' A' ' 61' ' ' ILE . 27.7 pt -119.21 179.02 2.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 124.537 1.135 . . . . 70.43 110.409 -169.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 39.7 m-85 -116.68 117.78 30.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.113 -0.949 . . . . 72.25 109.528 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 15' ' ' LEU . 35.1 m -107.91 107.58 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 108.744 -0.836 . . . . 62.21 108.744 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.79 117.44 17.54 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.1 t -117.06 147.3 42.49 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.148 0.979 . . . . 75.03 109.699 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.65 HG22 ' HE1' ' A' ' 10' ' ' TRP . 21.2 t -89.1 107.12 17.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 107.593 -1.262 . . . . 54.12 107.593 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.0 140.87 35.71 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.464 -0.939 . . . . 42.51 108.464 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -125.46 143.33 51.04 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.863 0.865 . . . . 73.42 109.032 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.52 103.06 7.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.994 -1.113 . . . . 75.14 107.994 169.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 6.7 m -84.24 112.46 20.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.576 -0.527 . . . . 74.14 109.576 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 49.9 mt -90.46 154.12 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.329 -1.36 . . . . 75.33 107.329 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 61.9 m -137.08 111.28 8.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 75.34 108.316 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.413 HD21 HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -126.46 163.75 22.66 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.06 -0.719 . . . . 71.44 109.06 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.0 tt0 -106.16 140.18 39.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.068 -1.086 . . . . 63.31 108.068 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.0 p -144.51 160.98 14.74 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 123.62 0.768 . . . . 64.21 109.221 -174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 74.9 mm-40 -103.15 141.61 22.84 Favored Pre-proline 0 N--CA 1.468 0.466 0 C-N-CA 123.217 0.607 . . . . 63.03 110.196 -176.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.93 -27.53 50.81 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.69 2.26 . . . . 75.1 111.701 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 54.9 p -81.38 -17.6 48.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.275 1.03 . . . . 65.24 112.158 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 118' ' ' GLU . 5.2 t70 -85.06 158.68 20.38 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.804 -0.813 . . . . 73.21 108.804 -174.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -85.45 163.56 18.4 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.395 0.678 . . . . 72.34 111.973 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 150' ' ' LEU . 29.1 mm -66.54 -18.36 24.01 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 C-N-CA 124.866 1.267 . . . . 62.02 110.663 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 9.8 pt-20 -56.9 -25.09 56.4 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.453 -0.794 . . . . 52.24 110.576 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 10.3 t-20 -54.99 -58.46 7.53 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.673 1.189 . . . . 71.51 109.957 170.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.49 -44.34 98.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 124.543 1.137 . . . . 75.11 111.124 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.552 ' HG2' ' HA ' ' B' ' 124' ' ' GLU . 59.4 pttt -65.27 -38.7 91.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 116.013 -0.54 . . . . 44.02 109.905 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.51 61.86 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 116.075 -0.511 . . . . 72.05 110.555 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.6 mmtt -67.42 -59.88 3.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 109.253 -0.647 . . . . 71.45 109.253 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 19.7 pt -58.73 -36.78 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 123.252 0.345 . . . . 74.25 111.476 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -68.96 -40.09 79.09 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.637 0.775 . . . . 64.43 112.063 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -70.21 -50.4 40.34 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.692 0.758 . . . . 72.22 110.619 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.95 -50.61 10.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.781 -1.554 . . . . 73.33 111.609 -165.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' B' ' 136' ' ' ILE . 12.6 pt-20 -125.93 5.2 7.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 113.326 0.862 . . . . 71.11 113.326 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.65 63.84 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 114.776 0.67 . . . . 42.0 114.776 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.547 HG13 ' HG3' ' B' ' 134' ' ' GLU . 58.8 mt -78.84 112.05 24.32 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.423 -0.954 . . . . 64.53 108.423 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.478 ' HD2' HE21 ' B' ' 140' ' ' GLN . 11.6 Cg_exo -67.12 135.46 37.4 Favored 'Trans proline' 0 CA--C 1.564 1.998 0 C-N-CA 122.571 2.181 . . . . 74.24 111.194 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.9 -51.54 2.88 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 124.055 3.17 . . . . 70.24 115.069 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.11 -27.93 66.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.301 0.64 . . . . 52.22 110.008 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.478 HE21 ' HD2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -85.46 12.82 7.67 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.96 1.304 . . . . 70.25 110.635 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.506 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -138.63 146.69 42.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.218 -0.66 . . . . 74.11 109.218 167.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -119.59 106.17 11.92 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.669 -0.863 . . . . 72.22 108.669 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.506 ' HB2' HE22 ' B' ' 141' ' ' GLN . 57.5 tp -82.66 130.67 35.16 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.373 0.669 . . . . 73.44 109.784 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' B' ' 168' ' ' ILE . 10.7 t70 -118.99 145.0 46.19 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.782 1.233 . . . . 72.15 108.751 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.502 ' HB2' HD21 ' B' ' 150' ' ' LEU . 25.0 t80 -139.17 102.36 4.49 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.389 -0.967 . . . . 33.21 108.389 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.77 24.49 4.43 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.333 1.053 . . . . 72.34 113.062 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.39 32.26 7.47 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 120.04 -0.311 . . . . 32.22 113.805 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -122.32 131.4 53.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.675 0.79 . . . . 71.51 109.132 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.12 112.19 18.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.306 -1.368 . . . . 71.55 107.306 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.644 ' HB3' HG21 ' B' ' 123' ' ' ILE . 3.0 mm? -73.08 89.47 1.48 Allowed 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.199 -0.667 . . . . 70.41 109.199 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.35 119.7 9.58 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.962 -1.017 . . . . 74.44 108.547 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.571 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.4 p-10 -63.6 -20.76 65.92 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.86 0.864 . . . . 73.12 112.512 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -87.04 -4.28 81.95 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 115.693 -0.685 . . . . 54.0 113.841 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.48 167.84 10.91 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.598 -0.89 . . . . 74.12 108.598 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 92.3 m -100.91 156.92 17.11 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.229 1.012 . . . . 55.25 109.901 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.554 HD22 HD13 ' B' ' 123' ' ' ILE . 3.6 mm? -56.9 -40.61 76.58 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.783 0.833 . . . . 74.24 109.923 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.482 ' H ' HG22 ' B' ' 155' ' ' THR . 42.8 t -60.26 -32.08 70.83 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.308 0.855 . . . . 75.41 113.308 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.78 -28.27 65.79 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.519 0.599 . . . . 53.32 111.331 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -106.43 1.32 25.52 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.777 0.831 . . . . 71.31 110.68 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 65.9 t30 48.88 51.91 15.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.967 1.307 . . . . 62.44 111.007 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.09 119.95 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 114.568 -1.196 . . . . 72.22 109.661 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.38 171.0 7.85 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-O 121.715 0.769 . . . . 63.02 110.716 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.6 139.58 58.45 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.548 -0.751 . . . . 75.02 109.653 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 63.91 23.49 13.37 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 113.649 -1.614 . . . . 71.22 112.353 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.4 m -62.47 117.12 5.76 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-N 118.527 0.603 . . . . 52.21 110.114 166.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.39 109.1 21.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.448 0.699 . . . . 63.03 109.497 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.93 138.95 38.22 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.399 1.08 . . . . 53.13 108.194 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.565 HG23 ' HB3' ' B' ' 144' ' ' ASP . 4.9 tt -95.38 111.75 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.271 0.558 . . . . 72.3 109.675 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 10.1 tt -89.86 125.03 35.19 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.657 -0.497 . . . . 63.4 109.657 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 160.09 15.36 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.935 0.894 . . . . 72.22 109.069 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.85 178.17 3.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.931 . . . . 64.33 110.816 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.487 1.388 0 C-N-CA 124.393 1.077 . . . . 74.33 112.917 172.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 119.855 -0.116 . . . . 72.12 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.84 -46.9 82.96 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.21 0.944 . . . . 75.45 110.745 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -60.34 -56.21 24.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.261 -0.881 . . . . 73.51 110.9 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.479 ' HA ' HD21 ' C' ' 787' ' ' LEU . 13.2 ptpt -66.21 -39.28 89.5 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 114.609 -1.178 . . . . 74.24 111.904 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -53.16 -50.91 63.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.493 0.717 . . . . 72.41 111.001 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.9 -43.84 82.36 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.455 0.702 . . . . 73.13 111.86 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -49.16 78.69 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.894 0.746 . . . . 63.1 110.6 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.47 -42.6 96.57 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.691 1.196 . . . . 72.33 110.989 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -71.2 -34.66 71.08 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 123.764 0.665 . . . . 65.33 109.238 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -43.36 85.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.633 0.773 . . . . 73.01 109.732 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -65.59 -33.79 76.74 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 114.971 -1.013 . . . . 74.12 110.37 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -76.3 -31.08 58.02 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.038 -0.528 . . . . 72.12 110.402 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 92.0 m -69.22 -31.72 70.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.127 -0.694 . . . . 54.2 109.127 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' C' ' 761' ' ' MET . 14.0 m-85 -63.82 -64.8 0.79 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.71 0.804 . . . . 74.12 110.427 170.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 73.9 mt -57.36 -44.69 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.636 0.774 . . . . 52.32 111.424 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.38 -51.72 58.5 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.238 0.615 . . . . 71.12 109.742 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -71.32 -26.19 62.74 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.886 0.741 . . . . 75.05 112.451 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' C' ' 757' ' ' TYR . 26.7 ptm -80.34 -35.98 34.79 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 110.212 -0.292 . . . . 63.44 110.212 172.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.4 -11.74 60.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.267 0.627 . . . . 75.13 110.892 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 93.1 m -66.26 -17.73 64.92 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.486 0.714 . . . . 63.25 110.447 170.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.621 ' HB2' HD12 ' C' ' 765' ' ' LEU . 7.2 m120 -118.24 -55.42 2.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.537 1.135 . . . . 62.22 109.259 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' C' ' 764' ' ' ASN . 4.3 mp -91.65 61.96 4.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.15 1.38 . . . . 73.43 107.542 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.443 ' HG3' HH12 ' C' ' 816' ' ' ARG . 8.2 pt-20 -68.19 17.07 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.361 1.985 . . . . 73.13 116.361 -165.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 68.3 m -158.86 88.84 0.92 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.936 0.895 . . . . 53.51 109.588 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.08 147.45 52.44 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.075 0.55 . . . . 71.21 111.182 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 34.8 t -65.42 162.27 18.13 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.25 1.02 . . . . 75.02 110.814 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.98 -31.48 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.466 -0.938 . . . . 74.04 108.466 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -46.56 -54.7 8.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.741 1.216 . . . . 75.23 112.842 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' C' ' 776' ' ' MET . 3.2 mpt_? -60.77 -58.46 8.38 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.673 0.608 . . . . 63.13 109.896 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.09 -23.08 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 CA-C-N 114.292 -1.322 . . . . 73.1 111.948 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.654 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 54.9 t80 -67.34 -51.59 50.46 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 109.054 -0.721 . . . . 70.11 109.054 171.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -62.23 -34.47 76.56 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.063 0.852 . . . . 64.05 110.544 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 82.1 mmm -60.74 -61.71 2.39 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.999 0.812 . . . . 75.15 109.579 172.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.82 -34.79 65.68 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.209 -0.905 . . . . 72.21 112.846 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.453 ' HA ' HG12 ' C' ' 781' ' ' VAL . 14.4 tpt180 -69.28 -47.76 63.65 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.185 0.928 . . . . 54.01 108.836 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -53.8 17.36 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.051 0.844 . . . . 74.42 110.24 171.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -72.35 -26.22 61.84 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.509 0.559 . . . . 63.33 112.509 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' C' ' 778' ' ' ARG . 2.5 p -85.66 -25.61 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 117.782 0.264 . . . . 74.01 111.024 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 19.7 m -90.61 -24.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 N-CA-C 112.123 0.416 . . . . 73.11 112.123 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.9 p -68.3 -19.35 64.68 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 120.763 0.316 . . . . 62.51 111.774 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.83 173.44 18.29 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.405 -0.816 . . . . 50.41 111.284 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.32 5.81 6.02 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 122.676 2.251 . . . . 55.42 111.545 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -43.0 114.2 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.551 1.94 . . . . 70.14 112.168 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' C' ' 747' ' ' LYS . 68.7 mt 66.38 9.23 6.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.669 1.187 . . . . 70.23 113.164 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.81 32.47 19.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.191 0.996 . . . . 51.12 111.165 -172.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 70.54 130.2 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.886 1.674 . . . . 73.42 111.62 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.434 ' H ' HG12 ' C' ' 790' ' ' ILE . 4.3 pt -92.44 170.94 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.658 1.183 . . . . 73.32 111.373 175.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -124.14 172.8 8.75 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.44 1.096 . . . . 71.53 109.492 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.05 -37.53 69.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.941 1.297 . . . . 73.21 111.903 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.12 -43.92 98.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.26 0.624 . . . . 73.53 110.966 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -69.29 -41.54 76.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.684 0.794 . . . . 74.12 110.052 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.654 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.12 -62.5 1.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.751 -1.113 . . . . 73.44 109.845 -179.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -60.59 -30.52 69.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.67 0.788 . . . . 75.52 110.94 -177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -67.57 -37.7 89.8 Favored Glycine 0 C--N 1.356 1.652 0 O-C-N 124.0 0.812 . . . . 41.02 112.532 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.61 -47.67 80.47 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 123.593 0.757 . . . . 61.54 109.988 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.19 -40.05 94.76 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 115.253 -0.885 . . . . 65.34 110.887 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.6 OUTLIER -57.47 -53.0 63.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.224 0.952 . . . . 72.51 110.334 179.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -50.06 -51.12 44.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.011 0.925 . . . . 71.31 110.743 172.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 1.9 mptp? -59.83 -33.32 71.61 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.628 0.58 . . . . 75.4 112.301 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.82 -43.29 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.748 0.419 . . . . 74.34 110.1 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 8.2 mmm180 -71.54 -24.42 61.94 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.903 0.481 . . . . 74.02 111.537 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.98 -4.4 59.13 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.658 1.183 . . . . 62.11 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.5 11.71 6.81 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 125.641 1.576 . . . . 75.34 111.49 -170.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.82 -28.96 60.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.346 1.058 . . . . 64.44 110.501 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.475 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 9.3 mt -135.78 142.23 44.89 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.837 1.255 . . . . 75.25 109.6 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.9 t -105.32 129.01 58.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 125.569 1.547 . . . . 65.2 108.26 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -93.09 108.68 20.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.093 -1.077 . . . . 71.5 108.093 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.516 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.0 t -88.29 -149.52 0.17 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.896 -1.15 . . . . 72.31 107.896 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.52 77.33 0.57 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.942 0.792 . . . . 75.25 110.695 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.03 21.04 76.79 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-N 115.597 -0.729 . . . . 61.11 113.548 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.516 HG22 ' HB3' ' C' ' 811' ' ' SER . 4.6 m -131.62 159.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 123.245 0.618 . . . . 73.35 109.973 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . 0.462 ' HB3' HD22 ' C' ' 808' ' ' LEU . 67.9 m-85 -108.9 136.72 47.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.31 1.044 . . . . 74.33 110.928 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.443 HH12 ' HG3' ' C' ' 766' ' ' GLU . 17.5 ttt85 -136.88 135.82 38.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.205 1.002 . . . . 74.12 110.014 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.53 128.79 71.2 Favored Pre-proline 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 62.41 110.148 173.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--N 1.374 1.918 0 C-N-CA 122.366 2.044 . . . . 64.14 110.046 159.787 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 110.99 -0.844 . . . . 63.53 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.14 151.08 27.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.697 0.799 . . . . 75.43 109.653 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -85.93 150.71 24.31 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.088 -1.079 . . . . 73.42 108.088 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.28 158.7 43.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 CA-C-O 121.114 0.483 . . . . 74.44 110.513 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.81 105.41 11.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.924 -1.035 . . . . 74.31 108.903 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 95.0 t -88.76 95.24 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 108.397 -0.964 . . . . 51.31 108.397 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB3' ' CH2' ' B' ' 110' ' ' TRP . 18.1 m-20 -76.71 100.74 5.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.212 1.405 . . . . 72.12 111.698 -172.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.502 ' OG1' ' HG3' ' B' ' 111' ' ' LYS . 0.7 OUTLIER -101.12 119.56 38.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.58 1.152 . . . . 74.25 109.757 -174.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.54 136.85 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.479 0.711 . . . . 74.1 109.58 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 44.7 mt-30 -122.77 82.04 1.94 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.858 0.463 . . . . 70.04 109.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' C' ' 765' ' ' LEU . 20.0 t-105 -98.59 117.02 32.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 74.35 108.133 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -162.78 132.3 4.31 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.646 0.592 . . . . 74.14 111.195 -166.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 0.6 OUTLIER -75.73 137.97 40.96 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.238 -0.653 . . . . 71.24 109.238 168.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mm -114.03 120.6 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.322 -1.362 . . . . 70.13 107.322 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.3 m -87.76 122.05 30.94 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.279 0.491 . . . . 51.11 110.099 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD21 HG13 ' B' ' 105' ' ' VAL . 1.3 pt? -136.51 166.47 23.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.209 1.003 . . . . 72.33 109.203 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 2.7 mp0 -103.78 151.7 22.74 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.877 -0.786 . . . . 71.35 108.877 168.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -148.99 155.99 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.67 -0.696 . . . . 75.54 110.2 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.39 144.35 28.64 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.175 0.99 . . . . 62.34 110.357 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -65.46 -34.42 43.2 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.411 2.074 . . . . 75.12 111.134 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -75.84 -10.04 59.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.329 1.051 . . . . 73.13 112.057 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' HB3' HD22 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -84.65 163.84 19.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.638 0.775 . . . . 75.43 110.377 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -94.4 159.94 14.88 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.383 0.611 . . . . 74.2 110.839 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.494 HD13 HD22 ' A' ' 56' ' ' LEU . 26.5 mm -63.9 -27.18 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 124.81 1.244 . . . . 74.45 110.413 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.33 -21.8 66.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.372 1.069 . . . . 73.14 111.243 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.437 HD22 ' HB3' ' A' ' 21' ' ' ASP . 62.4 m-20 -73.92 -37.74 64.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.482 -0.562 . . . . 65.12 109.482 176.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 61.8 t -65.89 -45.17 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.123 -0.695 . . . . 74.42 109.123 173.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -56.83 -45.37 82.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.253 1.021 . . . . 60.02 110.6 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.56 -34.89 65.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.653 0.381 . . . . 44.42 111.569 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 17.3 ptmt -74.97 -35.28 62.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.579 0.352 . . . . 74.14 110.92 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.434 HD11 ' OE1' ' A' ' 41' ' ' GLN . 18.4 pt -75.49 -27.24 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.207 0.458 . . . . 74.03 110.245 172.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.327 0.584 . . . . 74.51 110.377 171.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.64 -48.79 36.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.241 -0.89 . . . . 73.24 110.657 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 -60.87 1.89 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.525 -0.762 . . . . 73.15 111.507 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 60.1 mm-40 -78.66 -30.73 46.44 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.439 0.696 . . . . 75.31 110.601 -173.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.92 15.83 50.58 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.894 -0.593 . . . . 73.41 113.123 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -73.24 114.85 35.15 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.785 0.834 . . . . 73.15 111.546 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.77 139.15 33.09 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.366 2.044 . . . . 53.11 110.359 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -54.62 -30.12 64.16 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.39 2.726 . . . . 74.13 113.152 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.74 -46.61 88.86 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.825 -1.08 . . . . 72.24 110.664 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -83.85 -13.48 53.56 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.179 -0.919 . . . . 52.12 111.74 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' HD11 ' A' ' 30' ' ' ILE . 17.7 tt0 -81.65 133.7 35.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.373 1.469 . . . . 53.3 110.804 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 66.9 mtp180 -129.41 87.88 2.61 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 106.741 -1.577 . . . . 61.25 106.741 167.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.97 116.58 15.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.627 0.771 . . . . 74.23 110.279 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 68' ' ' ILE . 5.0 mm -111.14 135.98 48.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 122.976 0.51 . . . . 62.24 109.655 175.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.83 103.93 7.33 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.864 -1.162 . . . . 74.43 107.864 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.47 7.28 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 124.141 0.901 . . . . 65.01 112.666 170.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.52 20.41 29.55 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.287 -0.415 . . . . 74.51 113.846 -174.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -125.06 136.21 53.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.596 1.159 . . . . 72.34 108.095 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -89.08 127.17 35.69 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 109.856 -0.424 . . . . 60.43 109.856 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -88.95 113.1 24.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.511 -0.768 . . . . 72.52 109.229 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 2.5 tm-20 -66.15 129.26 39.22 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.694 -0.854 . . . . 64.32 108.694 175.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.31 -51.76 51.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.028 1.331 . . . . 73.41 112.619 -168.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 18.18 56.66 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-O 119.804 -0.442 . . . . 73.01 113.903 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 33.7 ttt180 -93.65 174.97 6.92 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.109 -1.071 . . . . 70.45 108.109 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.4 m -108.35 149.63 28.43 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.824 1.193 . . . . 73.31 110.418 -170.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 61' ' ' ILE . 2.5 mm? -57.42 -42.81 83.07 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.588 0.755 . . . . 75.31 109.903 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 55' ' ' THR . 34.6 t -64.47 -30.79 71.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.224 1.01 . . . . 75.54 112.924 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.33 -36.72 73.81 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.09 0.471 . . . . 74.35 110.225 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.0 m-85 -88.66 -8.83 53.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.708 -0.678 . . . . 73.44 110.844 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 59.5 48.3 9.9 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 122.024 0.916 . . . . 52.32 109.074 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 56' ' ' LEU . 21.0 mt -66.38 111.08 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 114.929 -1.032 . . . . 71.31 111.027 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.79 178.88 7.97 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.456 -1.247 . . . . 73.21 110.731 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.69 164.46 23.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.78 -1.1 . . . . 75.42 111.43 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 48.02 30.83 2.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 126.482 1.913 . . . . 70.1 113.81 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB2' HG22 ' B' ' 103' ' ' ILE . 51.5 m -78.07 125.73 29.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.886 -0.597 . . . . 64.43 110.018 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.44 110.34 20.75 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.06 0.457 . . . . 60.35 110.142 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD23 HG12 ' B' ' 105' ' ' VAL . 0.5 OUTLIER -99.05 164.05 12.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.921 0.888 . . . . 61.34 108.697 175.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.573 ' HA ' ' HB3' ' B' ' 106' ' ' ASP . 4.5 tt -138.72 126.96 28.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 109.632 -0.507 . . . . 74.14 109.632 175.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HG22 ' B' ' 107' ' ' THR . 35.9 mt -96.68 120.0 36.19 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.41 -0.813 . . . . 70.0 108.98 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 44.1 mt -93.28 120.14 33.23 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.539 -1.652 . . . . 75.35 106.539 173.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.38 162.51 28.49 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.946 -0.761 . . . . 74.34 108.946 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -32.34 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.923 0.889 . . . . 65.53 112.519 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' C' ' 760' ' ' ALA . 11.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.343 -1.299 . . . . 63.3 110.189 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 118.698 -0.667 . . . . 65.33 110.597 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 112.056 -0.418 . . . . 73.44 112.056 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.9 -171.45 3.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.925 0.89 . . . . 73.13 109.75 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -136.11 152.95 51.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.303 1.041 . . . . 64.4 108.619 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 65' ' ' SER . 21.7 pt -142.57 165.02 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.955 0.502 . . . . 75.14 111.385 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -118.15 106.13 12.53 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.242 -1.022 . . . . 71.31 108.242 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -97.51 115.55 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 118.774 0.715 . . . . 72.4 109.249 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 68' ' ' ILE . 25.7 t70 -71.24 129.83 39.89 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.646 -0.501 . . . . 52.34 109.646 174.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 69' ' ' LEU . 73.4 p -130.29 133.91 46.82 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.803 1.241 . . . . 74.05 108.157 -176.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 4.1 p -125.49 119.57 55.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.491 0.662 . . . . 52.22 110.814 173.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 67.5 mm-40 -112.71 106.14 14.45 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.056 -0.975 . . . . 54.0 108.405 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 6' ' ' ASP . 71.9 t-105 -82.03 147.04 29.37 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.232 -0.655 . . . . 74.03 109.232 171.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HG3' ' OG1' ' A' ' 7' ' ' THR . 18.5 ptpt -158.87 147.99 18.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.259 -1.015 . . . . 73.13 108.259 171.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 56.6 m -118.96 123.37 44.42 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.662 -0.866 . . . . 72.23 108.662 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.432 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 32.0 mm -94.49 109.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 108.341 -0.985 . . . . 74.44 108.341 -177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.1 m -92.42 124.98 36.86 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.83 164.18 30.91 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 121.051 0.453 . . . . 43.33 111.016 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.07 143.82 27.53 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.524 -1.658 . . . . 63.44 106.524 170.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.08 163.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.194 0.452 . . . . 63.24 110.721 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.97 147.69 35.98 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.59 0.756 . . . . 64.42 109.489 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.07 -40.97 81.59 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 123.043 2.495 . . . . 73.02 112.787 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 22.8 m -79.91 -8.45 59.32 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.025 -0.534 . . . . 74.35 112.019 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.53 151.27 47.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.393 -0.595 . . . . 55.05 109.393 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.62 166.84 15.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.214 0.531 . . . . 71.52 110.175 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.672 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 29.4 mm -72.97 -21.22 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.791 -0.641 . . . . 64.54 110.352 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.6 pt-20 -58.82 -26.32 64.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 74.33 111.873 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 60.1 m-80 -64.26 -54.98 24.73 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.479 -0.563 . . . . 43.31 109.479 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.24 -41.09 88.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 123.761 0.824 . . . . 62.31 110.453 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.586 ' HB2' HE22 ' B' ' 141' ' ' GLN . 37.3 pttt -63.8 -41.28 97.95 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 115.807 -0.633 . . . . 61.41 109.798 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.9 -28.06 63.25 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 122.836 0.454 . . . . 72.25 110.913 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 8.9 mmpt? -67.14 -52.11 45.57 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.309 0.38 . . . . 75.54 110.525 176.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.502 HD11 ' NE2' ' B' ' 141' ' ' GLN . 2.7 pp -70.89 -29.26 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 122.988 0.18 . . . . 74.1 111.37 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.57 -39.82 84.91 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.736 0.414 . . . . 70.44 110.117 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.58 -52.24 27.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.408 0.683 . . . . 64.42 110.259 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -86.26 -51.06 6.5 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.537 -0.756 . . . . 74.11 111.774 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.7 -18.81 27.1 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.662 0.385 . . . . 51.03 111.285 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.52 72.6 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.932 -0.371 . . . . 75.42 113.589 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.09 118.69 73.44 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.61 0.764 . . . . 63.14 110.117 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.474 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 38.6 Cg_exo -61.76 125.68 17.21 Favored 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.146 2.564 . . . . 64.3 111.775 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 6.8 Cg_endo -48.77 -39.23 38.67 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 124.019 3.146 . . . . 75.23 114.538 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.67 -34.1 77.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.908 0.883 . . . . 74.12 111.292 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 22.8 mt-30 -103.97 17.46 24.06 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.664 0.785 . . . . 74.42 111.423 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.586 HE22 ' HB2' ' B' ' 127' ' ' LYS . 5.4 tt0 -102.54 110.33 22.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.821 1.248 . . . . 74.24 110.213 -175.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -94.85 81.32 3.76 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.312 0.645 . . . . 74.15 109.596 169.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 100.14 6.25 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.318 -1.364 . . . . 45.22 107.318 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.92 121.92 46.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.37 -0.604 . . . . 73.13 109.37 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 167' ' ' LEU . 65.2 t80 -109.36 104.94 14.13 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.274 1.03 . . . . 73.23 108.468 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.92 29.43 9.95 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.799 0.84 . . . . 70.12 113.166 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.74 17.81 37.17 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 114.425 0.53 . . . . 74.1 114.425 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.572 ' HE3' ' HD1' ' B' ' 159' ' ' TYR . 0.1 OUTLIER -142.71 123.31 14.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.282 0.633 . . . . 74.54 109.686 173.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.9 159.03 34.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.385 0.674 . . . . 64.53 111.935 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 43.3 mt -110.21 117.87 34.83 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.201 -0.909 . . . . 74.44 110.766 -175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.03 125.56 29.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.854 0.861 . . . . 43.42 109.292 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.672 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 7.2 p-10 -60.48 -34.0 73.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.435 0.694 . . . . 74.41 112.526 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -86.36 9.05 71.82 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.508 -0.607 . . . . 71.34 113.814 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' B' ' 159' ' ' TYR . 21.5 ttm-85 -110.47 162.55 14.57 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.012 0.906 . . . . 64.35 109.053 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 40.6 p -96.47 157.6 15.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.217 0.607 . . . . 74.31 111.482 -171.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 123' ' ' ILE . 2.9 mm? -57.96 -38.28 75.73 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.38 1.072 . . . . 63.32 109.836 174.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.5 t -61.95 -39.67 92.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.959 0.904 . . . . 52.24 112.134 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.45 -31.28 65.77 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.068 0.855 . . . . 70.03 111.163 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.572 ' HD1' ' HE3' ' B' ' 148' ' ' LYS . 91.5 m-85 -90.17 -12.59 37.72 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.713 -0.676 . . . . 62.14 111.474 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.97 52.54 2.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.079 1.419 . . . . 74.25 109.346 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.3 mm -68.44 114.16 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 113.536 -1.666 . . . . 64.24 110.082 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -85.08 156.2 21.18 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.529 0.68 . . . . 50.45 110.6 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.29 144.1 51.29 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 115.68 -0.691 . . . . 54.33 109.466 170.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 50.2 29.03 3.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.127 1.371 . . . . 73.12 112.824 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 78.4 p -62.51 127.07 29.59 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 110.458 -0.201 . . . . 71.3 110.458 167.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.55 128.29 37.32 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 109.381 -0.6 . . . . 75.24 109.381 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 145' ' ' PHE . 1.3 pt? -144.63 126.35 15.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.7 0.8 . . . . 73.12 109.511 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 12.6 pt -95.25 128.98 46.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.866 0.841 . . . . 73.1 110.129 -166.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.581 HD11 ' HG3' ' B' ' 141' ' ' GLN . 34.0 tp -99.11 103.33 15.23 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.136 -0.938 . . . . 72.24 109.158 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.68 160.69 14.16 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.468 -1.242 . . . . 74.05 109.688 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.31 171.67 13.81 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.883 0.473 . . . . 61.52 110.035 171.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.445 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.7 t . . . . . 0 CA--C 1.568 1.663 0 N-CA-C 114.505 1.298 . . . . 75.22 114.505 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 119.112 -0.471 . . . . 62.3 112.065 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -52.4 -47.38 66.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.794 0.838 . . . . 75.31 111.822 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 30.9 mm-40 -55.13 -44.33 74.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.726 0.81 . . . . 75.42 110.849 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.49 -50.75 23.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.113 -1.403 . . . . 72.1 111.435 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.76 -31.53 72.8 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.763 0.664 . . . . 65.32 110.936 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.72 -33.6 68.86 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.531 0.519 . . . . 43.34 110.639 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 36.9 mm-40 -66.21 -39.82 89.9 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 109.736 -0.468 . . . . 63.44 109.736 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.54 -35.55 77.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.703 0.801 . . . . 65.42 110.826 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -72.22 -39.0 68.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.386 -0.968 . . . . 75.22 108.386 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' C' ' 756' ' ' THR . 0.6 OUTLIER -63.91 -38.69 92.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.198 0.599 . . . . 73.2 109.959 174.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.611 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 13.4 m-85 -66.77 -37.43 84.58 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.194 -0.669 . . . . 75.22 109.194 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -67.27 -33.8 76.08 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 123.867 0.729 . . . . 75.31 110.206 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' C' ' 753' ' ' LEU . 62.6 m -60.63 -43.58 97.36 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 122.924 0.49 . . . . 74.03 110.465 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.44 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 18.4 m-85 -65.65 -57.18 8.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.938 0.495 . . . . 75.03 111.442 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.445 HG13 ' O ' ' C' ' 754' ' ' PHE . 55.1 mt -61.47 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 124.343 1.027 . . . . 74.44 110.237 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.78 -41.84 92.01 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.693 0.621 . . . . 73.24 110.521 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.537 ' HA ' HD13 ' A' ' 73' ' ' LEU . . . -74.61 -36.27 62.95 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.868 0.73 . . . . 65.31 112.163 -176.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.73 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.8 ppp? -77.96 -28.93 49.56 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.737 -0.21 . . . . 73.33 110.477 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.73 HD22 ' SD ' ' C' ' 761' ' ' MET . 3.9 mm? -79.78 -25.0 41.09 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.634 1.174 . . . . 70.43 110.429 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 1.3 m -61.94 -17.67 57.65 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.967 0.907 . . . . 75.1 111.234 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -111.02 -51.05 2.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.639 0.776 . . . . 71.31 109.149 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 10' ' ' TRP . 7.3 mp -97.71 61.86 1.62 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.225 1.01 . . . . 64.41 111.333 -176.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.97 70.22 8.84 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.729 -0.607 . . . . 62.34 110.992 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 10.3 m 173.72 92.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.244 2.217 . . . . 73.15 108.195 176.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.446 HD11 HD21 ' C' ' 762' ' ' LEU . 2.8 pp -162.11 146.83 12.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.724 0.773 . . . . 62.32 112.689 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.3 t -72.16 157.43 37.77 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-N 114.931 -1.031 . . . . 72.5 110.401 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.624 HD11 HD12 ' C' ' 795' ' ' LEU . 13.9 tp -55.73 -25.86 42.53 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.789 -1.096 . . . . 71.42 112.094 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.79 -53.84 46.63 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.842 0.857 . . . . 75.54 112.047 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -60.41 -52.19 66.3 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.536 0.734 . . . . 75.13 111.415 -174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.544 HD12 HD21 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -67.09 -39.14 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 115.021 -0.991 . . . . 42.05 110.695 -177.102 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.546 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 22.0 t80 -56.18 -49.82 72.94 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.593 -0.521 . . . . 72.1 109.593 173.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . 0.444 HD22 ' HD1' ' C' ' 774' ' ' TYR . 0.9 OUTLIER -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 124.254 0.971 . . . . 70.13 111.404 -176.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 80.1 mtp -63.62 -58.2 7.68 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.347 0.404 . . . . 64.44 110.835 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.409 HD11 HD11 ' C' ' 758' ' ' ILE . 9.4 mp -58.3 -34.93 71.1 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.845 0.458 . . . . 74.32 110.736 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -69.81 -37.86 76.4 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 124.581 1.152 . . . . 71.32 110.472 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.44 -57.41 13.04 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.042 0.937 . . . . 61.13 110.573 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . 0.611 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 57.9 m-85 -65.46 -27.93 68.85 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 111.49 0.182 . . . . 73.14 111.49 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.623 ' HA ' ' HB3' ' C' ' 786' ' ' ALA . 1.6 t -69.3 -44.61 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.331 0.652 . . . . 73.52 111.375 172.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.79 -20.64 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 120.703 0.287 . . . . 65.03 111.225 -168.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 18.8 p -75.6 -20.09 58.81 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.572 0.582 . . . . 73.34 112.572 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -144.73 -163.14 9.88 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-O 119.93 -0.372 . . . . 73.3 113.071 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -84.51 4.45 6.88 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 122.91 2.407 . . . . 64.01 113.159 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.63 106.07 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.94 1.296 . . . . 74.21 112.148 -174.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 84.2 mt 68.97 -0.52 2.39 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.346 1.458 . . . . 73.24 113.776 174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 53.7 43.69 30.72 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.605 0.762 . . . . 75.33 111.747 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' C' ' 781' ' ' VAL . 1.3 mp0 75.3 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.102 1.761 . . . . 52.12 113.364 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.563 HG12 HG21 ' C' ' 781' ' ' VAL . 16.7 pt -108.42 155.27 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.635 1.174 . . . . 63.2 109.527 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' C' ' 795' ' ' LEU . 9.8 p-10 -124.87 -171.38 2.34 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.981 0.912 . . . . 63.31 109.709 -169.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.97 -47.76 21.8 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.319 1.012 . . . . 61.2 111.46 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.61 -59.5 5.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.284 0.99 . . . . 74.31 111.795 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.91 -36.32 83.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.086 0.554 . . . . 75.05 112.062 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.624 HD12 HD11 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -64.72 -50.45 66.87 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.684 0.794 . . . . 71.53 109.732 177.438 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.99 -41.77 83.73 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 114.613 -1.176 . . . . 55.13 111.111 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.29 96.28 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 124.311 1.007 . . . . 44.12 112.713 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.52 -54.39 47.54 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.541 0.736 . . . . 72.24 109.982 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.544 HD21 HD12 ' C' ' 773' ' ' ILE . 4.5 mm? -59.04 -45.74 89.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.484 -0.78 . . . . 75.45 111.124 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.22 -43.64 74.67 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.852 1.261 . . . . 73.35 110.078 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -54.46 30.97 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.101 0.876 . . . . 62.53 109.518 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -55.01 -37.62 66.85 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.933 0.716 . . . . 52.12 112.933 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 799' ' ' LEU . 74.0 t -65.88 -48.49 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.018 0.527 . . . . 71.32 109.925 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' C' ' 804' ' ' ARG . 55.1 mtt85 -74.51 -14.61 60.84 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.896 0.702 . . . . 72.44 112.896 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.47 1.1 55.48 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.468 1.107 . . . . 73.35 111.239 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 59.37 34.54 22.83 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.115 1.366 . . . . 74.22 110.689 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -118.25 0.25 11.68 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.151 1.38 . . . . 74.31 110.21 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.33 36.59 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.502 -1.296 . . . . 64.1 107.502 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 46.1 t -105.8 117.43 51.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 N-CA-C 108.654 -0.869 . . . . 60.32 108.654 168.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.12 107.3 19.13 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.349 -1.352 . . . . 73.22 107.349 170.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.548 ' HB2' HG13 ' C' ' 814' ' ' VAL . 19.6 m -83.36 -157.04 0.22 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.087 -0.708 . . . . 72.53 109.087 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.69 77.06 0.6 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 118.72 0.691 . . . . 42.31 111.375 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.39 18.31 79.86 Favored Glycine 0 C--N 1.359 1.82 0 CA-C-N 115.708 -0.678 . . . . 72.51 113.082 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' C' ' 811' ' ' SER . 7.2 p -138.46 137.82 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 109.122 -0.696 . . . . 74.14 109.122 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -97.88 143.21 28.71 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 122.779 0.432 . . . . 75.21 110.241 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.3 147.14 15.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.258 -0.883 . . . . 72.31 109.621 177.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.588 HD13 ' HG ' ' C' ' 762' ' ' LEU . 7.0 mp -84.05 144.94 45.24 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 122.374 -0.204 . . . . 34.31 111.53 176.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 C--N 1.37 1.692 0 C-N-CA 123.361 2.708 . . . . 74.53 113.156 172.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 110.983 -0.847 . . . . 54.15 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.12 150.73 25.9 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.472 0.709 . . . . 70.21 109.265 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -96.43 164.19 12.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.944 -0.571 . . . . 75.33 111.057 -178.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' B' ' 165' ' ' SER . 30.4 mt -138.14 154.33 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 124.003 0.921 . . . . 74.03 109.262 174.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.85 102.52 9.77 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.284 -1.376 . . . . 70.43 107.284 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.8 t -90.76 94.18 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.492 -0.558 . . . . 75.34 109.492 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.82 96.68 5.7 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.659 -0.497 . . . . 45.13 109.659 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 169' ' ' LEU . 14.4 t -93.32 121.1 34.36 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.883 -0.784 . . . . 63.51 108.883 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.08 132.06 38.37 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.84 -0.618 . . . . 72.32 109.5 -174.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.619 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 84.2 mm-40 -116.81 84.6 2.17 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.604 -0.726 . . . . 73.21 109.782 -173.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.534 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 29.3 t-105 -105.24 105.52 15.6 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 114.798 -1.092 . . . . 75.43 108.983 176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.619 ' HE2' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -138.63 149.38 45.15 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.102 0.961 . . . . 74.13 108.95 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.428 HG22 ' HB3' ' B' ' 104' ' ' PHE . 7.8 m -94.77 117.37 30.03 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.243 -0.651 . . . . 74.14 109.243 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 14.2 mt -96.37 165.46 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.28 1.032 . . . . 73.24 109.971 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -121.34 130.02 53.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 123.518 0.727 . . . . 73.51 109.13 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 152.74 38.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.888 0.875 . . . . 64.44 109.576 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 31.6 tt0 -91.69 146.53 23.7 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.984 -0.376 . . . . 73.34 109.984 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -134.95 166.38 28.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 124.089 0.956 . . . . 72.34 109.5 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -108.86 145.76 32.36 Favored Pre-proline 0 C--N 1.354 0.787 0 C-N-CA 122.799 0.44 . . . . 73.12 110.17 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.18 -34.76 26.99 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.04 2.493 . . . . 73.33 112.366 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -80.07 -11.46 59.76 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.631 -0.713 . . . . 60.53 111.834 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.89 161.27 21.93 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 122.806 0.442 . . . . 63.15 110.721 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -82.48 160.3 22.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.289 0.566 . . . . 74.4 110.459 170.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.2 mm -65.69 -24.72 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.913 -1.04 . . . . 74.24 110.026 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -22.31 66.0 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.992 0.517 . . . . 64.12 111.096 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m-20 -62.78 -50.59 70.42 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 171.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.79 -44.55 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.903 0.881 . . . . 63.01 110.105 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' OE1' ' A' ' 41' ' ' GLN . 38.3 ttpt -54.21 -46.73 72.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.417 -1.265 . . . . 72.35 110.748 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.49 64.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.01 -0.996 . . . . 73.14 111.749 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 71.8 mmtt -70.92 -49.22 48.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.493 0.317 . . . . 53.42 110.619 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' OE1' ' A' ' 41' ' ' GLN . 11.2 pt -70.25 -27.54 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.441 0.297 . . . . 75.13 110.992 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.11 -39.54 90.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.333 0.653 . . . . 72.2 110.983 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.82 -42.48 70.18 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.939 0.896 . . . . 65.15 110.999 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.01 -60.15 2.03 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.003 . . . . 73.11 111.788 -171.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -85.78 -36.44 20.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.714 0.406 . . . . 54.31 110.096 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 33.67 9.03 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.11 -0.495 . . . . 61.11 112.762 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -77.67 122.71 86.16 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 108.305 -0.998 . . . . 45.34 108.305 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 27.3 Cg_endo -61.94 119.6 6.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.852 2.368 . . . . 64.24 112.233 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 14.9 Cg_endo -52.92 -49.28 18.14 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 124.498 3.466 . . . . 72.35 113.954 -175.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -83.2 -1.97 54.37 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.717 -0.674 . . . . 70.33 111.878 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 24.8 mt-30 -115.85 8.39 14.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.597 0.759 . . . . 65.13 111.11 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.414 ' OE1' HD11 ' A' ' 30' ' ' ILE . 1.9 pt20 -118.46 156.11 29.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.129 0.572 . . . . 72.15 110.608 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 44.3 mtp180 -136.04 108.91 7.58 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.799 -1.185 . . . . 74.21 107.799 -174.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' A' ' 67' ' ' LEU . 6.7 mp -85.97 119.33 26.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.156 -0.683 . . . . 72.11 109.156 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.653 HG21 ' HE1' ' C' ' 757' ' ' TYR . 78.8 mt -129.28 140.68 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.307 0.643 . . . . 71.22 110.368 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.2 m-85 -110.04 -160.67 0.72 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.143 -1.428 . . . . 61.43 107.143 172.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.73 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.575 1.15 . . . . 55.13 113.203 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 60.07 32.32 75.45 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 114.922 -1.035 . . . . 53.1 113.394 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.82 133.91 55.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.706 0.253 . . . . 73.14 110.829 -174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.96 106.16 18.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.715 0.806 . . . . 74.51 110.249 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.753 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -83.35 92.17 7.48 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.629 0.771 . . . . 61.12 109.372 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.04 119.85 9.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.942 -1.026 . . . . 71.54 108.953 168.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.9 p-10 -61.75 -32.39 72.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.012 0.434 . . . . 63.2 111.061 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.23 8.42 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 119.674 -0.514 . . . . 74.23 113.693 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' O ' HG12 ' A' ' 23' ' ' ILE . 54.6 ttt180 -123.19 171.47 9.32 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.648 -0.871 . . . . 74.25 108.648 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 m -101.44 148.78 24.78 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 119.857 1.208 . . . . 72.33 112.249 -166.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.98 -49.44 75.74 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.495 0.718 . . . . 75.13 111.033 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.787 -0.642 . . . . 73.43 112.175 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -36.01 70.98 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.221 0.951 . . . . 74.14 110.734 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.92 -16.14 32.58 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.981 -0.554 . . . . 72.1 111.039 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 t30 63.33 64.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.571 1.148 . . . . 74.23 110.96 -169.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.69 114.29 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.322 -0.992 . . . . 55.12 108.322 165.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -101.42 174.97 5.73 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.278 0.631 . . . . 45.2 110.383 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -73.27 138.88 45.76 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.181 0.593 . . . . 34.31 110.741 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.51 31.0 20.71 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.283 1.433 . . . . 75.02 112.714 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -85.36 140.25 30.92 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 109.701 -0.481 . . . . 74.2 109.701 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.82 120.57 39.96 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.037 0.446 . . . . 64.44 112.098 -171.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 43' ' ' LEU . 6.9 tt -110.15 130.6 55.51 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.284 1.434 . . . . 71.12 108.874 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.718 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 11.8 tt -94.75 139.1 19.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 123.293 0.637 . . . . 54.04 110.142 173.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.13 110.1 22.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.559 0.743 . . . . 62.05 110.355 174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 89.5 mt -96.36 116.02 28.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.555 -1.202 . . . . 61.33 108.427 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.502 HD13 HG13 ' B' ' 108' ' ' VAL . 10.5 mp -75.3 170.47 16.02 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.286 -0.635 . . . . 62.21 109.286 169.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -35.03 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.14 1.376 . . . . 73.11 113.655 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' C' ' 760' ' ' ALA . 9.3 tt -62.56 -54.01 46.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.504 -1.226 . . . . 64.3 109.927 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 114.526 -1.215 . . . . 65.11 107.97 -178.186 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.285 -0.326 . . . . 73.2 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -147.54 149.89 33.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.515 0.726 . . . . 73.2 110.184 -176.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -92.69 152.6 19.44 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.757 -0.656 . . . . 72.25 109.984 -173.153 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.9 pt -141.0 164.62 20.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 124.089 0.956 . . . . 65.04 110.176 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -105.01 135.74 45.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.739 -1.119 . . . . 70.21 108.429 174.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 67' ' ' LEU . 16.0 m -120.79 107.46 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.777 0.799 . . . . 75.4 110.471 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.718 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 3.4 m-20 -66.37 96.33 0.35 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.654 -1.157 . . . . 73.15 109.362 173.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 55.5 p -100.99 140.83 34.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 65.43 110.351 -175.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.3 p -128.17 123.35 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.397 0.679 . . . . 61.1 109.803 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -129.31 129.59 45.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.109 1.364 . . . . 75.24 108.598 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -80.24 142.34 34.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.0 0.52 . . . . 72.15 109.786 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 7' ' ' THR . 62.8 mttm -132.45 89.46 2.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.617 -0.882 . . . . 73.41 108.617 172.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.9 m -77.18 108.36 10.23 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.345 -0.843 . . . . 61.42 109.514 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.446 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 15.7 mm -92.0 104.52 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.037 -1.468 . . . . 61.24 107.037 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 95.8 m -90.28 111.8 23.13 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.597 -0.89 . . . . 44.35 108.597 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.25 162.53 25.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.73 -0.668 . . . . 63.22 109.483 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.0 tt0 -113.81 140.41 48.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.076 -1.083 . . . . 75.21 108.076 166.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.03 171.04 17.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 123.519 0.727 . . . . 70.32 109.925 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -114.77 151.97 45.91 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.272 0.629 . . . . 63.45 109.567 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.82 -37.19 28.51 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.837 2.358 . . . . 62.22 112.827 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 25.3 m -82.38 -8.12 59.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.123 -0.49 . . . . 72.33 111.187 -174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -74.65 149.79 39.85 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.572 -0.529 . . . . 73.12 109.572 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -85.5 169.09 13.93 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.005 0.815 . . . . 62.14 111.053 174.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.1 mm -72.13 -16.86 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.268 0.627 . . . . 63.23 110.47 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.425 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -62.12 -30.15 70.83 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 122.977 0.511 . . . . 75.33 110.583 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 38.3 m-80 -62.48 -48.43 79.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.748 -0.464 . . . . 74.34 109.748 172.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -44.87 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.614 0.766 . . . . 74.32 111.016 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' B' ' 124' ' ' GLU . 54.8 pttt -65.12 -37.34 87.13 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 122.372 0.269 . . . . 72.31 110.384 178.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.59 74.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 115.993 -0.548 . . . . 61.33 111.28 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 68.8 mmtt -71.33 -47.91 53.67 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 110.348 -0.242 . . . . 71.44 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' B' ' 136' ' ' ILE . 28.4 pt -67.88 -31.09 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 119.857 -0.116 . . . . 61.4 111.043 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.83 -48.2 55.28 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.63 0.372 . . . . 62.34 111.277 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.47 -49.56 76.31 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.759 0.79 . . . . 75.34 110.912 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -84.92 -55.52 4.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.406 -1.27 . . . . 50.31 110.44 -173.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -98.61 -21.1 16.63 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.618 0.229 . . . . 62.32 111.618 -167.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.91 14.05 68.09 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.778 -0.457 . . . . 40.54 113.5 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.44 HD12 ' HB ' ' B' ' 130' ' ' ILE . 69.2 mt -70.97 117.69 58.52 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 109.525 -0.546 . . . . 62.02 109.525 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.702 ' HB2' ' HG2' ' B' ' 140' ' ' GLN . 23.4 Cg_exo -62.47 122.93 11.52 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 123.159 2.573 . . . . 53.31 111.958 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -57.78 -38.56 92.46 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.654 2.903 . . . . 71.11 113.42 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.44 -30.77 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.623 0.769 . . . . 53.15 112.298 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.702 ' HG2' ' HB2' ' B' ' 137' ' ' PRO . 2.6 pt20 -111.02 27.89 9.25 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 120.994 0.426 . . . . 73.53 111.191 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.517 ' HG3' HD11 ' B' ' 169' ' ' LEU . 17.7 tt0 -70.75 82.38 0.63 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.05 -0.722 . . . . 74.22 109.05 169.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 126.85 41.28 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.079 -1.452 . . . . 63.41 107.079 172.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.705 HD21 ' H ' ' B' ' 150' ' ' LEU . 0.0 OUTLIER -141.23 153.14 45.11 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 122.941 0.497 . . . . 72.11 110.108 -176.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -119.39 110.12 16.58 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 106.847 -1.538 . . . . 52.04 106.847 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 165' ' ' SER . 64.7 t80 -108.75 99.73 9.05 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.802 -1.184 . . . . 74.11 107.802 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 45.83 32.83 1.37 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.935 0.894 . . . . 51.45 113.022 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.81 25.3 27.75 Favored Glycine 0 C--N 1.359 1.848 0 C-N-CA 123.117 0.389 . . . . 71.32 114.07 -176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -129.51 172.84 11.14 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.0 0.92 . . . . 63.44 110.759 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -117.51 134.89 54.36 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.616 -1.254 . . . . 64.21 107.616 163.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.705 ' H ' HD21 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.69 96.07 7.42 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.957 -1.498 . . . . 63.45 106.957 164.669 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.493 ' HB3' ' HD3' ' B' ' 154' ' ' ARG . 34.3 tt0 -73.44 132.55 43.08 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.045 -0.98 . . . . 65.44 110.234 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -43.47 -45.52 6.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.063 1.745 . . . . 73.43 113.823 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.74 15.54 19.52 Favored Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.819 -1.082 . . . . 63.34 115.432 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.493 ' HD3' ' HB3' ' B' ' 151' ' ' GLU . 0.8 OUTLIER -118.74 174.07 6.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 117.957 0.879 . . . . 73.21 111.391 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.0 p -97.45 173.45 7.17 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.708 1.203 . . . . 52.4 110.408 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.13 -35.77 71.86 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.707 -0.678 . . . . 74.33 109.459 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.4 t -66.49 -29.7 69.87 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.605 0.762 . . . . 34.15 111.074 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -54.8 -33.59 61.7 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.721 0.809 . . . . 74.21 111.781 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -102.59 -1.97 29.32 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.416 -0.811 . . . . 64.35 110.941 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.6 47.48 24.72 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.152 0.981 . . . . 63.41 109.994 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 9.5 mm -52.41 119.25 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 114.177 -1.374 . . . . 74.14 111.246 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -79.19 149.62 31.9 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 121.393 0.616 . . . . 73.41 110.77 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -63.02 126.25 26.7 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.351 -0.981 . . . . 63.4 108.351 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 72.09 35.45 1.27 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.35 1.031 . . . . 73.34 109.816 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.413 ' HB2' HG23 ' A' ' 3' ' ' ILE . 58.6 m -50.62 146.75 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 116.259 -0.428 . . . . 70.32 111.669 161.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.55 126.56 37.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.163 0.585 . . . . 62.15 110.119 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.46 156.78 44.35 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.375 0.67 . . . . 64.54 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.3 tt -106.63 110.67 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 73.14 110.165 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.517 HD11 ' HG3' ' B' ' 141' ' ' GLN . 7.6 tt -99.61 141.07 32.89 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.329 -0.989 . . . . 53.21 108.329 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -141.22 141.29 34.04 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.737 0.815 . . . . 73.52 108.92 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.433 ' HG ' HG23 ' B' ' 136' ' ' ILE . 7.0 mp -75.17 96.46 3.29 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.675 -0.861 . . . . 63.41 108.675 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 91.9 m . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 123.446 0.698 . . . . 71.41 110.122 -173.157 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.804 0.812 . . . . 74.04 111.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -48.82 51.1 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-N 113.925 -1.489 . . . . 73.3 111.183 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -46.49 -60.22 2.49 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 125.303 1.627 . . . . 45.05 110.392 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 14.7 ptpt -60.03 -42.53 94.59 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 123.898 0.749 . . . . 71.41 111.998 -170.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.31 -57.79 11.47 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.98 0.8 . . . . 64.22 111.491 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.27 -21.41 62.1 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.42 -0.809 . . . . 71.33 110.689 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -84.06 -27.8 28.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.565 1.146 . . . . 65.41 110.365 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 62.3 mt -69.5 -37.13 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.368 -0.975 . . . . 71.14 108.368 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.68 -40.44 97.11 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.794 -0.639 . . . . 73.03 109.437 171.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -40.18 93.57 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.298 0.639 . . . . 51.21 111.383 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.479 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 35.0 m-85 -66.46 -33.33 75.45 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.854 0.359 . . . . 63.34 110.559 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -73.09 -29.76 63.17 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.691 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 88.5 m -64.06 -37.48 87.58 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.283 -0.636 . . . . 71.53 109.283 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.653 ' HE1' HG21 ' A' ' 44' ' ' ILE . 24.9 m-85 -63.73 -66.38 0.55 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.525 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -35.63 69.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 124.243 0.964 . . . . 71.43 111.652 -167.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.3 tt0 -70.91 -49.54 44.63 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.411 0.284 . . . . 71.51 110.404 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -73.03 -23.14 60.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.861 0.689 . . . . 75.02 112.861 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.759 ' HE1' HD11 ' C' ' 765' ' ' LEU . 5.3 ppp? -88.38 -48.65 7.48 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 119.154 -0.45 . . . . 61.25 110.092 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.479 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 18.6 mt -69.32 -16.45 63.55 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 118.498 0.59 . . . . 74.23 112.529 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 7.8 t -71.14 -21.33 62.21 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.457 0.571 . . . . 54.23 110.073 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -98.01 -62.43 1.25 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.587 0.755 . . . . 70.24 110.256 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.759 HD11 ' HE1' ' C' ' 761' ' ' MET . 0.3 OUTLIER -96.94 64.04 1.98 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.395 1.093 . . . . 71.33 110.319 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.27 79.92 1.32 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.352 -1.295 . . . . 65.4 112.025 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m 162.99 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 126.725 2.01 . . . . 73.1 109.091 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.565 HD22 ' HG2' ' C' ' 772' ' ' ARG . 95.5 mt -134.29 142.31 47.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.17 0.588 . . . . 71.14 110.457 175.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.8 t -69.62 160.62 31.22 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 108.646 -0.872 . . . . 64.42 108.646 163.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.407 HD21 HD12 ' C' ' 795' ' ' LEU . 2.7 tt -57.26 -30.73 64.9 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.953 0.501 . . . . 74.32 110.585 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . 0.496 ' HB2' HH11 ' C' ' 772' ' ' ARG . 7.8 m-20 -49.44 -37.3 25.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.471 1.108 . . . . 72.53 113.394 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.565 ' HG2' HD22 ' C' ' 768' ' ' LEU . 6.9 mpt_? -70.94 -66.43 0.61 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.869 0.467 . . . . 64.33 109.975 -174.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.556 HD13 HD21 ' C' ' 799' ' ' LEU . 2.4 pp -62.45 -24.5 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.858 -0.61 . . . . 75.44 111.791 -178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 23.9 t80 -64.02 -60.42 3.27 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 123.257 0.623 . . . . 74.11 109.776 170.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -54.76 -36.27 64.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.537 1.135 . . . . 70.4 111.746 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 76.7 mtp -72.6 -53.89 10.64 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.434 -0.803 . . . . 63.31 111.524 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.87 -35.7 73.42 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 120.798 0.332 . . . . 65.31 110.645 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' C' ' 781' ' ' VAL . 10.3 tpt180 -67.87 -38.28 82.86 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.291 1.036 . . . . 73.14 110.169 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 44.9 ttp -58.73 -57.43 13.06 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.426 -0.583 . . . . 75.21 109.426 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -57.23 -40.04 76.73 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.6 0.562 . . . . 63.44 112.313 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.598 HG11 HG12 ' C' ' 790' ' ' ILE . 31.7 m -68.69 -43.32 83.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 118.987 -0.53 . . . . 74.54 112.039 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.81 -32.62 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.5 0.591 . . . . 73.35 112.197 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 24.7 p -72.83 -25.76 61.24 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.054 0.541 . . . . 74.23 111.878 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.2 -160.47 9.69 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 115.466 -0.788 . . . . 75.03 112.311 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.56 4.15 7.06 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 123.193 2.595 . . . . 74.44 112.292 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -57.17 99.64 0.04 OUTLIER 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.466 1.104 . . . . 75.03 111.856 -170.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 81.1 mt 63.67 2.17 1.22 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.306 1.443 . . . . 70.43 113.278 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 49.67 57.79 6.13 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.023 0.929 . . . . 74.22 112.343 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 66.32 114.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.381 1.472 . . . . 74.33 113.247 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.598 HG12 HG11 ' C' ' 781' ' ' VAL . 21.0 pt -101.24 161.46 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.025 0.93 . . . . 70.14 110.155 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.25 -171.26 2.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.692 -0.685 . . . . 74.12 109.188 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . 0.548 ' O ' ' HB3' ' C' ' 796' ' ' GLN . 4.0 mm? -60.6 -26.54 67.05 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.041 0.756 . . . . 51.04 113.041 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -54.6 45.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.157 0.979 . . . . 53.13 109.568 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' C' ' 790' ' ' ILE . 16.4 mm-40 -70.98 -40.45 71.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 112.957 -1.929 . . . . 74.24 109.578 -173.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.658 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -68.3 -62.78 1.24 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.935 -1.029 . . . . 64.23 110.011 -177.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' C' ' 792' ' ' LEU . 7.1 tt0 -55.2 -40.55 70.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.504 0.722 . . . . 73.41 110.665 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.6 -34.71 90.67 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.89 0.744 . . . . 43.43 113.142 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -65.39 -51.15 62.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.913 0.885 . . . . 73.14 110.328 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.556 HD21 HD13 ' C' ' 773' ' ' ILE . 3.9 mm? -60.09 -48.51 81.4 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 115.882 -0.599 . . . . 53.15 110.673 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -50.62 -46.21 58.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.016 1.326 . . . . 65.43 110.727 176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.68 -56.07 26.97 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.074 0.859 . . . . 73.32 110.499 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.6 mmtt -58.33 -31.14 67.28 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.963 0.727 . . . . 75.15 112.963 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 92.0 t -72.76 -45.89 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 122.566 0.346 . . . . 75.52 110.105 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.72 -23.02 66.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.248 0.619 . . . . 72.04 111.605 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.38 2.51 52.46 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.128 0.971 . . . . 71.2 111.6 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 15.17 5.88 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 125.246 1.418 . . . . 74.41 111.707 -175.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.47 -18.19 27.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.63 1.172 . . . . 75.43 111.251 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' C' ' 817' ' ' LEU . 0.8 OUTLIER -147.16 134.76 20.99 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 107.847 -1.168 . . . . 72.01 107.847 -175.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.38 149.37 8.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.97 0.89 . . . . 74.2 111.115 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.81 108.64 17.02 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 113.236 -1.802 . . . . 75.03 107.646 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 32.2 t -84.92 -147.33 0.1 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.243 -1.021 . . . . 74.32 108.243 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.09 77.57 0.94 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.226 0.921 . . . . 73.34 110.664 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.88 14.85 81.25 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.75 -0.659 . . . . 44.04 113.842 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 146.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 123.0 0.52 . . . . 75.3 110.728 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.87 143.31 29.32 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 123.983 0.913 . . . . 70.32 111.97 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.43 ' O ' HD23 ' C' ' 808' ' ' LEU . 27.9 ptt180 -160.36 158.72 30.13 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.939 -1.028 . . . . 75.03 110.116 170.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.615 HD23 ' HG ' ' C' ' 808' ' ' LEU . 96.4 mt -82.28 133.4 50.62 Favored Pre-proline 0 N--CA 1.474 0.766 0 CA-C-O 119.704 -0.189 . . . . 71.43 111.426 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.377 2.027 0 C-N-CA 122.75 2.3 . . . . 63.55 111.059 172.564 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 112.442 -0.263 . . . . 51.3 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -124.06 156.72 36.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.851 0.861 . . . . 74.43 109.539 -175.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' B' ' 163' ' ' LYS . 12.9 mm-40 -89.29 165.78 14.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.115 0.483 . . . . 71.53 110.466 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -139.05 147.22 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 124.079 0.952 . . . . 74.34 109.818 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 14.6 m-85 -110.6 108.47 18.42 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.446 -1.316 . . . . 53.21 107.446 165.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.75 114.83 42.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 108.569 -0.9 . . . . 63.13 108.569 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -87.74 99.69 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.82 -1.082 . . . . 70.2 108.888 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -93.07 116.31 28.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.14 -0.936 . . . . 73.02 108.512 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.68 141.2 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.748 0.819 . . . . 71.33 110.897 -171.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -133.73 85.0 2.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.068 0.947 . . . . 70.55 109.217 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' HA ' ' O ' ' B' ' 107' ' ' THR . 30.8 t-105 -92.14 106.17 18.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.642 -0.873 . . . . 73.11 108.642 172.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -162.24 154.89 19.7 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 115.042 -0.981 . . . . 62.24 110.362 -170.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 92.4 m -74.97 138.2 42.12 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.744 1.218 . . . . 64.35 111.471 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mm -109.07 112.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 108.866 -0.79 . . . . 73.31 108.866 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.477 HG22 ' CD1' ' B' ' 104' ' ' PHE . 28.5 p -84.09 115.9 22.61 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.597 -0.52 . . . . 72.44 109.597 173.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 154.81 42.58 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 120.733 0.302 . . . . 75.52 110.836 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 136.84 35.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.09 0.956 . . . . 71.04 109.127 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.57 162.45 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 122.919 0.488 . . . . 64.34 110.306 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 7.8 mm-40 -100.47 138.18 20.11 Favored Pre-proline 0 C--N 1.346 0.442 0 C-N-CA 123.968 0.907 . . . . 73.44 109.822 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 39.5 Cg_endo -65.16 -33.4 49.8 Favored 'Trans proline' 0 C--N 1.366 1.482 0 C-N-CA 122.702 2.268 . . . . 53.21 112.476 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -91.76 -0.79 57.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.995 0.518 . . . . 75.32 111.739 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 4.0 t70 -90.96 165.07 13.75 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 108.937 -0.764 . . . . 53.1 108.937 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 10.6 p -83.42 161.26 21.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.158 0.583 . . . . 72.02 111.851 176.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.635 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 33.3 mm -62.36 -25.19 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.841 1.257 . . . . 73.01 110.499 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 5.9 tp10 -44.68 -40.16 5.69 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.479 1.512 . . . . 74.52 111.234 168.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.3 t-20 -53.27 -59.5 4.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.743 0.817 . . . . 74.31 110.264 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.34 -52.81 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.267 0.979 . . . . 62.23 110.575 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -67.91 -30.85 70.27 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.412 -0.813 . . . . 60.12 112.013 -175.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.35 65.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.325 0.25 . . . . 75.2 111.173 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.7 mmpt? -72.91 -39.52 66.25 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.533 0.333 . . . . 73.1 111.052 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 36' ' ' ILE . 17.1 pt -74.68 -29.09 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 CA-C-N 117.56 0.164 . . . . 73.54 110.58 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.69 -34.94 74.63 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.763 0.316 . . . . 74.42 110.94 170.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.42 -49.39 55.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.429 0.692 . . . . 52.44 110.738 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -87.74 -58.81 2.44 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.177 -0.919 . . . . 72.13 111.888 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -87.92 -14.05 40.3 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 122.257 -0.277 . . . . 60.35 111.403 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.66 33.92 45.59 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.166 0.291 . . . . 61.14 113.519 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.6 HD12 ' HB ' ' A' ' 30' ' ' ILE . 51.2 mt -88.04 123.95 67.79 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.464 0.706 . . . . 71.13 110.244 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.0 Cg_endo -80.81 105.12 1.64 Allowed 'Trans proline' 0 CA--C 1.561 1.826 0 C-N-CA 122.672 2.248 . . . . 73.21 111.212 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 43.1 Cg_endo -64.0 -27.46 66.15 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.53 2.82 . . . . 70.22 113.496 -170.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.29 -43.39 61.63 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.802 1.241 . . . . 74.02 111.469 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 5.3 pt20 -112.22 26.36 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.689 0.796 . . . . 73.0 110.241 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.46 118.12 22.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.162 0.985 . . . . 61.53 110.304 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.9 97.74 8.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.28 1.432 . . . . 71.22 109.457 175.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.85 114.22 18.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.216 -1.401 . . . . 70.32 107.216 170.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.54 HG12 ' HG2' ' A' ' 49' ' ' GLN . 37.9 mt -124.24 139.61 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 118.962 0.801 . . . . 72.41 110.87 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 61' ' ' ILE . 1.1 t80 -126.97 101.67 6.66 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 125.435 1.494 . . . . 73.2 108.097 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.56 32.97 21.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.797 0.686 . . . . 44.22 112.254 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.49 6.94 58.32 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 115.068 0.787 . . . . 42.23 115.068 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -114.71 113.07 23.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.163 0.585 . . . . 73.2 109.789 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.54 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.5 mt-30 -73.34 110.35 7.56 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.765 -0.828 . . . . 65.53 108.765 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.8 101.52 2.62 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.657 0.783 . . . . 72.32 110.449 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 128.21 33.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 107.804 -1.184 . . . . 72.0 107.804 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.635 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.0 p-10 -56.66 -28.6 61.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.603 1.561 . . . . 73.12 114.368 -164.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.89 -18.38 74.29 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.797 -0.638 . . . . 75.42 114.161 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.79 174.72 9.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 117.497 0.648 . . . . 61.42 110.028 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 16.4 m -97.36 160.12 14.52 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.03 0.932 . . . . 74.11 109.631 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.53 -51.64 66.6 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.283 0.563 . . . . 44.23 110.256 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.67 -22.75 67.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.21 0.604 . . . . 75.43 112.083 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' THR . 22.4 t70 -56.51 -33.89 66.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.869 0.868 . . . . 61.33 111.173 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.74 -3.2 33.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.124 0.569 . . . . 71.35 111.637 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 t30 58.16 63.62 1.71 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.723 0.773 . . . . 72.34 109.503 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 45' ' ' PHE . 2.5 mm -77.17 108.62 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.13 -0.941 . . . . 74.55 108.73 177.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -84.92 -173.67 4.85 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.026 -0.534 . . . . 75.2 110.228 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.558 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 4.6 ttmp? -81.66 148.2 29.15 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.855 0.462 . . . . 75.42 109.82 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 39.9 mt-10 58.68 27.7 16.21 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.026 1.331 . . . . 72.52 112.724 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB2' HG22 ' B' ' 103' ' ' ILE . 53.9 m -62.43 115.13 3.96 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 123.23 0.612 . . . . 55.03 110.396 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.38 9.23 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.994 0.426 . . . . 71.43 110.245 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.623 HD23 HG22 ' B' ' 105' ' ' VAL . 0.3 OUTLIER -89.29 157.99 18.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.522 0.729 . . . . 73.1 109.673 178.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -125.06 129.84 73.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.828 0 CA-C-O 121.237 0.541 . . . . 63.35 110.081 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD12 ' HB ' ' B' ' 107' ' ' THR . 95.9 mt -100.05 105.61 17.28 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.148 -0.933 . . . . 73.14 109.989 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 90.0 mt -97.66 113.83 25.66 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.473 -0.936 . . . . 73.25 108.473 173.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 tp -74.75 168.01 20.7 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 118.789 0.722 . . . . 72.33 109.418 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 1.1 m -29.9 113.38 0.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.965 2.106 . . . . 75.22 115.075 -169.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' C' ' 760' ' ' ALA . 2.3 tm? -160.66 -77.74 0.06 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.607 0.763 . . . . 71.54 108.984 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 123.667 0.787 . . . . 75.43 108.919 177.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.634 -0.586 . . . . 73.14 111.634 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.41 163.02 30.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.102 0.561 . . . . 75.45 110.203 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.424 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 30.8 mm-40 -95.5 153.21 17.81 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.76 -1.2 . . . . 44.41 107.76 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 65' ' ' SER . 27.0 pt -144.13 147.46 19.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 C-N-CA 123.02 0.528 . . . . 71.12 110.091 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.477 ' CD1' HG22 ' A' ' 14' ' ' THR . 12.5 m-30 -106.43 100.45 9.97 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.154 -1.054 . . . . 61.13 108.154 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 67' ' ' LEU . 47.9 t -101.6 103.18 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 108.347 -0.983 . . . . 75.01 108.347 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 6.3 t0 -83.59 124.45 30.8 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.99 -0.745 . . . . 74.11 108.99 -172.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.544 ' HB ' HD12 ' A' ' 69' ' ' LEU . 10.2 t -122.71 144.27 49.26 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.762 0.825 . . . . 73.33 110.759 -172.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.44 109.27 27.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.855 -0.795 . . . . 73.11 108.855 162.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 87.46 4.39 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.037 -1.468 . . . . 72.12 107.037 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -98.16 142.14 30.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.171 0.988 . . . . 63.34 109.834 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.88 149.69 16.53 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.091 -0.959 . . . . 72.22 109.68 167.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.1 m -102.99 126.97 50.39 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.391 0.676 . . . . 73.44 109.536 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -106.15 137.01 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 107.618 -1.253 . . . . 71.43 107.618 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.7 m -111.65 124.1 51.61 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.884 -0.414 . . . . 74.03 109.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 169.24 17.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.01 0.524 . . . . 73.52 110.594 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -112.93 144.21 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.6 -0.889 . . . . 75.51 108.6 170.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.424 HG22 ' H ' ' B' ' 118' ' ' GLU . 5.2 p -141.68 -178.11 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 N-CA-C 108.915 -0.772 . . . . 71.24 108.915 174.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.424 ' H ' HG22 ' B' ' 117' ' ' VAL . 41.2 mt-10 -128.43 149.74 72.42 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 108.84 -0.8 . . . . 73.2 108.84 176.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 -34.81 98.61 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.061 2.508 . . . . 50.12 112.481 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.5 m -78.24 -9.23 59.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.198 -0.91 . . . . 74.11 111.939 -175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.62 170.86 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.303 0.573 . . . . 73.35 110.687 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -110.36 155.79 21.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.92 -1.036 . . . . 73.2 111.258 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.78 -23.88 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 113.986 -1.461 . . . . 72.44 111.575 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.3 pt-20 -54.11 -35.17 61.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.567 0.747 . . . . 61.42 111.201 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -66.24 -47.57 73.35 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.659 0.784 . . . . 74.44 110.71 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.92 -46.98 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.394 0.678 . . . . 74.23 110.422 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 55.8 pttt -68.39 -36.67 79.48 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.812 -0.631 . . . . 75.13 111.04 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.14 79.88 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.667 0.387 . . . . 61.22 110.764 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.64 -37.06 60.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.331 0.652 . . . . 65.53 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -68.59 -34.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.602 0.637 . . . . 70.31 109.583 173.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.3 -40.21 89.85 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.761 0.424 . . . . 74.34 111.163 172.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.5 -51.35 52.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 71.31 111.371 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -89.64 -53.93 4.3 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.829 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.5 -8.97 49.0 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.194 -169.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.8 73.53 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 123.322 0.389 . . . . 61.33 113.256 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' B' ' 141' ' ' GLN . 73.4 mt -85.56 127.1 64.54 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 124.052 0.941 . . . . 73.32 110.833 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.49 107.4 1.21 Allowed 'Trans proline' 0 CA--C 1.56 1.812 0 C-N-CA 122.521 2.147 . . . . 63.23 110.9 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 44.9 Cg_endo -63.36 -39.28 38.21 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.501 2.8 . . . . 71.54 114.444 -165.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 -29.46 28.83 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.422 0.689 . . . . 71.53 110.962 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -20.12 57.19 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.408 1.083 . . . . 65.01 110.503 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' B' ' 171' ' ' LEU . 15.2 mm-40 -117.81 98.59 6.43 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.951 -0.759 . . . . 70.42 108.951 175.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -77.59 104.9 8.39 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.128 -0.693 . . . . 74.31 109.128 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 126.5 28.81 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 114.874 -1.057 . . . . 72.33 108.892 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . 0.748 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 25.3 t70 -113.39 151.43 31.31 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.87 1.268 . . . . 63.1 110.847 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.486 ' HB2' HD21 ' B' ' 150' ' ' LEU . 10.3 t80 -142.26 107.31 4.94 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.98 0.912 . . . . 75.12 109.341 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.92 24.52 14.61 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.295 1.038 . . . . 71.44 112.803 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.33 5.91 60.24 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.187 -0.229 . . . . 60.14 113.569 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -129.65 117.81 20.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.397 -0.964 . . . . 74.44 108.397 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.748 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 0.0 OUTLIER -71.29 152.7 43.01 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.813 0.339 . . . . 71.2 110.842 -178.1 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.692 HD21 HD23 ' B' ' 167' ' ' LEU . 1.6 mm? -86.37 109.74 19.22 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.415 -0.958 . . . . 74.01 108.415 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 4.8 tt0 -56.18 132.29 50.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.881 -0.785 . . . . 64.21 108.881 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -60.99 -31.31 70.92 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.167 0.987 . . . . 65.05 112.731 -168.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.06 12.33 57.4 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.313 -0.403 . . . . 33.31 113.394 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.639 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 7.2 tpt180 -85.54 175.1 8.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.083 0.553 . . . . 64.22 110.305 -173.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -102.18 152.29 21.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.535 0.734 . . . . 62.25 110.042 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.402 HD13 HD12 ' B' ' 161' ' ' ILE . 4.3 mm? -64.65 -42.02 95.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.091 0.556 . . . . 51.04 110.714 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -68.34 -24.88 64.87 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.346 -0.843 . . . . 63.13 111.735 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.57 -30.81 67.45 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.267 0.627 . . . . 75.03 111.132 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.542 ' HB2' HG13 ' B' ' 161' ' ' ILE . 89.2 m-85 -100.52 -7.25 24.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.05 0.54 . . . . 71.01 110.441 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.2 t30 49.82 58.94 4.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.966 1.307 . . . . 71.11 110.121 -168.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.542 HG13 ' HB2' ' B' ' 159' ' ' TYR . 9.2 mt -71.71 120.49 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 114.604 -1.18 . . . . 62.33 110.031 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -100.2 162.15 13.15 Favored 'General case' 0 C--O 1.262 1.76 0 CA-C-N 115.49 -0.777 . . . . 71.1 109.737 178.339 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -53.52 138.28 34.31 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.547 -1.206 . . . . 74.42 110.394 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 pt-20 70.8 16.2 6.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.701 1.601 . . . . 74.33 112.73 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.43 ' HB3' HE21 ' B' ' 162' ' ' GLN . 37.5 p -51.18 125.84 15.05 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 123.351 0.407 . . . . 53.2 110.649 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.03 108.95 21.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.698 0.399 . . . . 52.04 110.003 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.692 HD23 HD21 ' B' ' 150' ' ' LEU . 1.0 OUTLIER -115.8 149.96 37.71 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.324 -1.361 . . . . 74.04 107.324 -177.56 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.86 140.33 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 119.719 1.145 . . . . 62.12 110.805 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.4 HD21 HG21 ' B' ' 136' ' ' ILE . 9.3 mp -70.51 132.74 45.98 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.536 0.335 . . . . 51.43 110.451 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.68 147.65 31.59 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 107.988 -1.116 . . . . 62.03 107.988 165.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.495 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 7.6 mp -70.21 155.39 40.71 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 118.636 -0.697 . . . . 73.13 109.414 172.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.685 1.231 . . . . 63.21 114.279 -176.021 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.772 0.32 . . . . 72.23 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.44 -50.1 74.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.893 1.277 . . . . 73.31 110.527 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -62.26 -58.58 7.22 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 115.325 -0.852 . . . . 75.05 110.677 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 15.1 ptpt -63.81 -39.85 95.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 114.584 -1.189 . . . . 75.24 111.753 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.9 -49.5 73.23 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 123.765 0.665 . . . . 74.12 110.876 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.4 -21.62 59.55 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.79 0.681 . . . . 75.51 111.486 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.01 -49.27 73.08 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.785 -0.82 . . . . 71.23 108.785 167.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 43.4 mt -66.38 -33.8 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.89 0.744 . . . . 73.41 111.3 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.27 -36.44 71.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.324 -0.991 . . . . 74.31 108.324 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -49.54 65.62 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.551 0.741 . . . . 73.43 110.132 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 28.3 m-85 -55.83 -39.64 71.7 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.551 0.74 . . . . 70.31 109.973 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.485 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 4.9 t-105 -67.33 -40.64 85.93 Favored 'General case' 0 C--O 1.197 -1.693 0 CA-C-N 114.164 -1.38 . . . . 75.24 110.202 177.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 42.3 m -64.73 -35.36 80.81 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.838 0.744 . . . . 60.02 110.555 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.482 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 37.5 m-85 -61.39 -61.86 2.24 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 122.916 0.486 . . . . 75.33 110.144 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.563 HD11 HD11 ' C' ' 777' ' ' LEU . 50.3 mt -62.74 -37.23 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.922 0.764 . . . . 72.02 111.154 -176.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' C' ' 817' ' ' LEU . 8.0 tt0 -68.37 -54.84 14.57 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.093 0.557 . . . . 72.2 109.816 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -73.01 -27.31 61.71 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.484 -0.78 . . . . 74.34 112.305 -172.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.1 ptm -70.34 -50.36 39.9 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.42 -0.956 . . . . 74.43 108.42 170.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' C' ' 816' ' ' ARG . 15.1 mt -68.39 -13.11 62.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.349 0.66 . . . . 74.14 112.749 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.9 m -73.11 -22.93 60.46 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.67 0.788 . . . . 63.31 110.659 173.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -107.88 -68.02 0.93 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.24 -0.652 . . . . 64.44 109.24 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.551 HD12 HD23 ' C' ' 768' ' ' LEU . 0.4 OUTLIER -86.66 68.86 10.27 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.313 1.054 . . . . 74.41 108.892 -177.088 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.565 ' HB2' ' HG3' ' C' ' 816' ' ' ARG . 12.6 pt-20 -74.56 78.13 1.97 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.053 -1.431 . . . . 74.44 111.245 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 18.6 m 157.52 117.76 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 128.4 2.68 . . . . 71.22 108.464 168.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.551 HD23 HD12 ' C' ' 765' ' ' LEU . 1.0 OUTLIER -162.93 159.42 23.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.014 0.925 . . . . 72.42 109.989 176.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . 0.454 ' OG ' ' HG3' ' C' ' 772' ' ' ARG . 78.9 p -80.97 156.68 25.83 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 120.969 0.414 . . . . 50.44 110.034 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' C' ' 799' ' ' LEU . 7.2 tp -58.46 -33.39 69.69 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.941 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.28 -41.45 88.94 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.318 1.047 . . . . 74.13 111.351 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.454 ' HG3' ' OG ' ' C' ' 769' ' ' SER . 61.2 mtp180 -62.52 -59.64 4.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.283 -0.872 . . . . 72.42 110.551 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.74 -21.62 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 115.676 -0.693 . . . . 72.34 111.832 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.57 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 53.6 t80 -60.66 -54.38 46.0 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.817 -0.808 . . . . 62.23 108.817 169.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.5 -36.0 77.29 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 123.778 0.674 . . . . 72.11 111.547 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.41 -60.7 3.39 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.413 0.446 . . . . 72.3 110.189 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.563 HD11 HD11 ' C' ' 758' ' ' ILE . 8.4 mt -52.74 -34.23 51.76 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.656 0.783 . . . . 73.2 112.154 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.588 ' HA ' HG12 ' C' ' 781' ' ' VAL . 0.0 OUTLIER -65.18 -47.34 77.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.448 0.699 . . . . 75.11 111.238 177.806 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.7 tpt -50.96 -49.37 60.16 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.157 0.911 . . . . 64.25 110.368 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -74.88 -26.5 59.71 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 113.043 0.757 . . . . 74.01 113.043 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.5 p -89.68 -17.29 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.699 0.4 . . . . 72.55 111.338 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 -35.78 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 122.281 -0.262 . . . . 74.15 110.405 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.1 p -65.53 -27.16 68.26 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 111.859 0.318 . . . . 54.42 111.859 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.94 174.46 15.56 Favored Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.541 -1.024 . . . . 64.34 110.541 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.93 -33.46 15.89 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 121.954 1.77 . . . . 75.32 110.891 168.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' C' ' 781' ' ' VAL . . . 40.14 -87.23 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.502 1.921 . . . . 64.05 113.963 -171.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 751' ' ' LEU . 5.5 mp -129.07 37.3 4.08 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.657 0.783 . . . . 44.35 109.655 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 58.65 36.3 24.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.266 1.026 . . . . 43.03 111.239 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 74.65 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.197 1.799 . . . . 70.25 110.832 -169.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.419 HG12 HG11 ' C' ' 781' ' ' VAL . 8.2 pt -81.42 172.32 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.21 1.004 . . . . 74.44 109.948 171.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -129.12 175.7 8.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.386 0.674 . . . . 73.22 110.099 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.08 -44.93 94.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.136 0.974 . . . . 74.22 111.792 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -62.83 -32.72 73.98 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.921 0.391 . . . . 61.34 110.445 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.26 -37.98 51.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.133 -0.94 . . . . 74.2 109.758 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.57 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.0 OUTLIER -70.37 -62.22 1.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.64 1.176 . . . . 74.5 109.103 -179.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -54.17 -46.38 72.32 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.995 0.918 . . . . 64.5 110.695 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.47 -43.15 77.18 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.984 0.803 . . . . 70.31 113.153 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 21.8 t80 -58.27 -55.2 38.09 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.318 1.047 . . . . 74.01 110.711 176.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.5 mm? -63.51 -49.65 72.73 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.789 -1.096 . . . . 73.05 111.885 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.13 -30.49 71.42 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.677 0.611 . . . . 74.31 110.041 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -55.58 31.68 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 108.623 -0.88 . . . . 73.32 108.623 171.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -53.31 -38.82 63.51 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.927 0.767 . . . . 73.02 112.583 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 799' ' ' LEU . 50.0 t -65.77 -47.53 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.776 -0.453 . . . . 72.12 109.776 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -79.21 -5.21 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.491 0.716 . . . . 74.31 112.381 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -91.56 1.46 57.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.716 1.206 . . . . 73.5 110.876 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 12.1 7.07 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.618 1.567 . . . . 54.22 112.015 -173.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.77 -32.39 25.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.893 0.877 . . . . 64.41 110.718 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' C' ' 815' ' ' TYR . 60.8 tp -134.95 143.01 46.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.899 1.28 . . . . 75.14 109.009 -168.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . 0.481 HG22 ' O ' ' C' ' 816' ' ' ARG . 10.8 m -105.61 152.01 7.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 43.31 110.064 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.0 110.08 15.83 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.683 1.193 . . . . 62.31 108.18 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 20.8 t -85.63 -148.71 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.819 -1.178 . . . . 64.52 107.819 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.58 76.04 1.08 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.948 0.794 . . . . 41.31 111.097 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.74 81.89 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.698 -0.683 . . . . 75.24 113.348 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.92 153.38 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.049 0.539 . . . . 74.1 110.283 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' C' ' 808' ' ' LEU . 46.9 m-85 -102.71 142.77 33.31 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.27 0.628 . . . . 72.43 110.943 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.565 ' HG3' ' HB2' ' C' ' 766' ' ' GLU . 50.8 ttt180 -145.68 136.7 24.64 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.102 1.361 . . . . 64.03 109.068 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' C' ' 759' ' ' GLN . 24.3 mt -87.84 128.61 53.55 Favored Pre-proline 0 N--CA 1.475 0.806 0 O-C-N 122.049 -0.407 . . . . 64.4 110.872 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 C--N 1.369 1.631 0 C-N-CA 122.72 2.28 . . . . 71.15 110.634 167.811 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.731 -0.548 . . . . 51.22 111.731 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.87 -177.95 6.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.064 0.945 . . . . 73.12 110.268 -175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.452 ' HB3' ' HG2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -135.53 134.33 39.33 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.142 -1.058 . . . . 72.02 108.142 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.74 156.74 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 109.27 -0.641 . . . . 62.24 109.27 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' HB3' HG23 ' B' ' 112' ' ' THR . 21.8 m-85 -95.96 128.37 42.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 61.54 109.158 170.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.594 HG23 ' HB ' ' B' ' 113' ' ' ILE . 3.0 m -110.28 106.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 108.537 -0.912 . . . . 71.34 108.537 172.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 14.3 m-20 -78.59 99.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.161 1.384 . . . . 75.34 109.663 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.688 HG22 HD22 ' B' ' 169' ' ' LEU . 40.7 p -87.71 102.46 14.66 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 174.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.9 119.03 48.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 122.088 0.946 . . . . 70.32 109.247 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.713 ' HB3' ' HG3' ' B' ' 109' ' ' GLN . 28.8 tt0 -95.02 97.27 9.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.4 -1.273 . . . . 74.23 108.092 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.474 ' HH2' HD11 ' A' ' 68' ' ' ILE . 5.4 t-105 -118.12 98.16 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 106.494 -1.669 . . . . 73.11 106.494 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -164.55 156.28 15.85 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.861 1.06 . . . . 74.33 113.861 -172.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 27.4 m -76.79 130.01 37.07 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.452 1.101 . . . . 74.23 110.877 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mm -113.05 111.93 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.667 -0.864 . . . . 75.11 108.667 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.7 m -83.76 119.5 24.89 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.676 -0.861 . . . . 74.12 108.676 174.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 HG23 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -144.23 153.45 42.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.521 0.329 . . . . 74.43 111.204 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 2.0 tm-20 -84.09 143.23 29.85 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.006 0.922 . . . . 73.41 108.699 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -150.99 155.31 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.199 0.6 . . . . 61.34 109.628 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.69 147.18 35.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.474 0.709 . . . . 74.15 110.184 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.63 -34.21 64.17 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.691 2.261 . . . . 63.23 112.223 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 m -77.3 -12.39 59.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.724 0.81 . . . . 73.52 112.126 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.99 151.38 45.64 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.759 -0.46 . . . . 72.11 109.759 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -82.56 160.25 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.598 -0.728 . . . . 74.1 110.465 166.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.531 HD13 HD22 ' A' ' 56' ' ' LEU . 23.5 mm -66.28 -26.53 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.638 0.775 . . . . 72.15 110.098 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -21.16 64.85 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.537 0.735 . . . . 72.13 111.299 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 63.0 m-80 -61.96 -60.82 3.06 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.874 0.734 . . . . 72.44 109.223 170.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -56.84 -36.0 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 123.813 0.845 . . . . 72.21 111.256 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 38' ' ' PRO . 36.2 ttpt -57.14 -53.41 58.39 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.742 1.217 . . . . 74.35 111.215 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -24.53 63.3 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.432 -0.803 . . . . 41.23 112.017 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 4.0 mptp? -70.02 -54.39 13.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.858 0.863 . . . . 73.01 109.648 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 2.7 pp -65.63 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 117.902 0.319 . . . . 63.45 110.872 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 9.0 tt0 -67.65 -35.28 78.6 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 115.815 -0.629 . . . . 61.43 110.615 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.22 -44.23 72.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.274 0.63 . . . . 71.24 110.472 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 73.1 mmtt -81.08 -71.36 0.47 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.995 -1.002 . . . . 52.53 111.138 -172.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.3 -25.17 36.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.505 0.722 . . . . 75.53 111.765 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.03 23.08 56.33 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 121.77 -0.252 . . . . 63.33 113.482 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 69' ' ' LEU . 43.1 mt -73.36 125.13 90.98 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.562 0.745 . . . . 64.05 109.664 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.19 135.25 53.38 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 123.244 2.63 . . . . 63.53 112.329 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 6.2 Cg_endo -49.08 -44.33 33.33 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 124.367 3.378 . . . . 72.5 113.901 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.74 -26.91 62.66 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.251 -0.886 . . . . 65.03 112.331 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -102.65 26.37 8.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.215 0.606 . . . . 74.22 112.457 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.629 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 4.2 pt20 -131.54 163.47 27.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.593 0.711 . . . . 75.02 111.724 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 37.2 mtp85 -140.82 100.33 3.81 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 107.147 -1.427 . . . . 62.03 107.147 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 43' ' ' LEU . 2.6 mp -85.05 134.66 34.2 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.662 -0.866 . . . . 74.33 108.662 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' HG2' ' A' ' 49' ' ' GLN . 49.4 mt -134.94 138.8 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 121.065 0.459 . . . . 74.32 109.79 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.79 101.73 5.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.504 -0.924 . . . . 75.11 108.504 -171.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.59 40.67 31.73 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.1 0.875 . . . . 60.32 110.855 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 -2.27 78.76 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.067 -0.969 . . . . 73.44 115.499 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -97.96 120.03 37.63 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.239 1.019 . . . . 64.32 110.478 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.6 mt-30 -81.65 115.59 20.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 71.14 108.111 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 45' ' ' PHE . 34.9 mt -87.01 126.61 34.85 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 123.967 0.792 . . . . 61.5 111.781 -164.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -76.48 127.19 32.35 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 107.664 -1.235 . . . . 63.42 107.664 164.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 12.1 p-10 -61.95 -28.27 69.42 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.139 0.576 . . . . 73.34 111.37 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.91 -1.3 78.39 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.83 -0.623 . . . . 71.42 114.577 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.74 177.67 6.02 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.694 0.747 . . . . 75.42 109.876 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 27.4 m -106.69 157.34 17.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.592 0.757 . . . . 75.22 109.639 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 61' ' ' ILE . 2.6 mm? -59.6 -53.01 63.05 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 109.035 -0.728 . . . . 72.34 109.035 173.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 t -61.6 -22.24 65.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.628 0.771 . . . . 70.1 112.402 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.93 -33.48 71.95 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.599 0.759 . . . . 72.32 111.118 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.18 -2.92 35.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.674 -0.693 . . . . 71.35 111.218 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 60.3 65.58 1.06 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.964 0.906 . . . . 64.15 110.82 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.4 mm -77.64 107.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 114.988 -1.006 . . . . 71.13 109.577 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HG3' ' OG ' ' A' ' 65' ' ' SER . 10.4 pt20 -85.97 -176.14 5.86 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.187 -0.915 . . . . 73.13 109.19 172.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.5 ttpp -92.5 155.24 17.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.159 0.584 . . . . 74.3 110.958 -177.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 56.13 41.47 29.45 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.744 1.217 . . . . 73.5 111.282 -173.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 62' ' ' GLN . 43.4 m -99.72 129.72 45.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.178 0.591 . . . . 63.41 111.279 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.16 102.3 13.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.501 0.667 . . . . 41.14 110.861 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' B' ' 105' ' ' VAL . 3.6 tt -87.94 126.53 35.11 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 106.641 -1.614 . . . . 72.5 106.641 171.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.8 tp -97.43 126.93 50.17 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 108.786 -0.82 . . . . 73.4 108.786 172.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD21 HD12 ' A' ' 36' ' ' ILE . 57.1 tp -98.5 105.17 17.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.439 -0.948 . . . . 71.22 108.439 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' C' ' 760' ' ' ALA . 74.6 mt -96.71 162.94 13.22 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.513 -0.921 . . . . 63.25 108.513 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 41' ' ' GLN . 1.7 pt? -116.38 174.81 5.86 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 108.861 -0.792 . . . . 63.41 108.861 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.03 114.31 1.4 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 122.921 0.488 . . . . 64.53 111.849 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' C' ' 763' ' ' THR . 4.0 pp -75.4 -19.41 59.53 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.0 -1.0 . . . . 63.41 110.912 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.01 1.324 . . . . 75.51 108.392 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.67 -0.572 . . . . 62.22 111.67 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -144.13 149.67 36.89 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.81 0.844 . . . . 63.34 109.532 179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.622 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 10.7 mp0 -108.93 125.0 51.56 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.418 -1.327 . . . . 71.13 107.418 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 39.6 pt -118.23 166.67 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.347 0.659 . . . . 73.53 110.887 -173.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.435 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 12.4 m-85 -113.42 101.53 9.46 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.756 0.822 . . . . 74.51 108.968 -176.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.498 HG23 HD11 ' A' ' 15' ' ' LEU . 57.3 t -96.7 105.19 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.908 -0.775 . . . . 70.22 108.908 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 68' ' ' ILE . 3.0 t70 -78.44 103.06 8.14 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.119 -1.067 . . . . 72.51 108.119 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.7 t -91.73 145.23 24.75 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 114.631 -1.168 . . . . 62.5 112.164 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.419 HG22 ' CE3' ' A' ' 10' ' ' TRP . 36.4 t -120.05 120.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 125.374 1.671 . . . . 74.25 109.508 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.713 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -142.9 150.19 39.46 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.899 -0.778 . . . . 75.32 108.899 160.52 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . 0.502 ' HB2' HD21 ' C' ' 764' ' ' ASN . 10.8 t-105 -126.43 135.19 51.08 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 107.301 -1.37 . . . . 63.24 107.301 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.44 ' HB2' HE22 ' B' ' 109' ' ' GLN . 87.1 tttt -139.81 125.29 19.13 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.732 0.645 . . . . 74.0 109.414 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 4' ' ' PHE . 57.9 m -94.46 116.36 28.71 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.261 0.625 . . . . 74.14 109.406 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 5' ' ' VAL . 14.0 mt -101.72 163.09 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 61.22 108.565 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 18.3 p -122.82 132.23 54.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.067 0.947 . . . . 72.42 109.661 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.436 HD12 ' HD3' ' B' ' 129' ' ' LYS . 2.5 pt? -133.34 164.99 25.88 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.591 -0.892 . . . . 74.51 108.591 171.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 2' ' ' GLN . 33.2 mt-10 -114.9 151.47 33.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.33 1.052 . . . . 72.24 109.032 169.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.6 p -156.46 171.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.43 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -109.91 151.25 42.3 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 123.39 0.676 . . . . 63.11 110.152 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.08 -35.83 32.13 Favored 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 122.549 2.166 . . . . 71.13 112.728 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.8 -8.61 59.71 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.499 0.32 . . . . 75.13 111.141 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.462 ' HB3' HD22 ' B' ' 125' ' ' ASN . 38.3 m-20 -72.33 158.94 34.86 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.193 0.597 . . . . 61.41 110.25 177.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.4 p -91.34 162.72 14.48 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.356 0.662 . . . . 75.31 111.073 172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.561 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 34.0 mm -70.71 -20.38 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 CA-C-N 114.874 -1.057 . . . . 53.0 109.958 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 13.5 pt-20 -62.17 -30.61 71.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.927 0.491 . . . . 71.41 110.72 176.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.462 HD22 ' HB3' ' B' ' 121' ' ' ASP . 55.1 m-20 -69.8 -41.05 75.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.303 0.641 . . . . 60.34 110.121 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.74 -51.87 67.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 123.67 0.788 . . . . 64.12 109.911 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 60.3 pttt -64.13 -39.09 93.28 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.894 -0.593 . . . . 72.33 110.698 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.48 93.91 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 116.078 -0.51 . . . . 53.31 111.383 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' B' ' 115' ' ' LEU . 16.1 ptmt -78.27 -34.88 48.69 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.361 0.413 . . . . 72.32 111.754 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.549 ' HB ' HD12 ' B' ' 136' ' ' ILE . 23.3 pt -72.5 -30.16 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 110.072 -0.344 . . . . 74.21 110.072 174.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.55 -37.41 77.04 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.301 0.64 . . . . 64.01 110.903 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.73 -43.77 71.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.056 0.943 . . . . 71.31 111.477 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 -58.95 2.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.194 -0.912 . . . . 65.22 111.222 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.25 -15.17 26.14 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.522 0.329 . . . . 72.33 111.41 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.52 53.49 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.348 0.405 . . . . 64.31 112.557 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.549 HD12 ' HB ' ' B' ' 130' ' ' ILE . 97.3 mt -86.37 110.06 28.41 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.115 0.966 . . . . 64.31 109.532 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.97 118.9 4.54 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 C-N-CA 122.472 2.114 . . . . 72.43 109.81 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.582 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.7 Cg_endo -58.15 -36.3 97.99 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 123.631 2.887 . . . . 73.23 114.071 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.55 -29.07 62.21 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.414 -0.812 . . . . 73.31 110.022 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.74 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 0.0 OUTLIER -87.29 -22.7 24.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.361 0.665 . . . . 75.52 110.688 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 103.17 4.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.008 0.923 . . . . 70.13 108.985 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.53 129.74 36.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 65.24 110.063 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' B' ' 167' ' ' LEU . 13.0 mt -85.61 125.67 33.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.889 -0.782 . . . . 75.34 108.889 -178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.91 144.0 51.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.668 0.787 . . . . 73.11 109.984 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' B' ' 150' ' ' LEU . 0.1 OUTLIER -127.05 102.86 7.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.967 -1.123 . . . . 74.33 107.967 177.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 49.29 36.3 9.2 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.785 1.234 . . . . 72.32 113.315 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.71 16.06 43.74 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.996 -0.547 . . . . 62.34 114.318 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -121.23 119.12 31.37 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.918 -0.771 . . . . 75.34 108.918 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.38 136.59 55.01 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.308 -0.627 . . . . 74.13 109.308 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' B' ' 145' ' ' PHE . 66.7 mt -94.48 104.31 16.27 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.061 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.1 130.61 43.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.092 -0.958 . . . . 61.34 108.602 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.561 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.7 p-10 -67.38 -25.82 66.15 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.637 0.256 . . . . 74.13 111.223 -173.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -84.28 6.19 77.23 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.773 -0.649 . . . . 71.21 113.871 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.16 167.54 11.14 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.06 -1.089 . . . . 75.24 108.06 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 15.5 p -104.31 166.84 10.14 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.039 0.447 . . . . 74.31 110.99 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 161' ' ' ILE . 3.2 mm? -69.85 -41.84 74.36 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.298 -0.865 . . . . 74.43 109.234 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.3 t -68.96 -24.33 64.24 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.852 -0.613 . . . . 62.04 111.437 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.21 -31.05 70.82 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.708 0.63 . . . . 74.4 110.54 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 161' ' ' ILE . 95.2 m-85 -102.94 4.22 37.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.52 0.728 . . . . 74.23 111.203 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.8 t30 60.42 28.24 17.87 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.054 0.941 . . . . 73.31 111.294 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 156' ' ' LEU . 99.4 mt -58.64 128.71 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.637 1.175 . . . . 73.02 110.997 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.02 174.5 9.95 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 122.117 0.961 . . . . 63.23 111.422 -172.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -59.53 141.26 55.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 114.358 -1.292 . . . . 75.11 110.177 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 55.45 23.39 5.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.121 2.169 . . . . 74.24 113.401 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 66.0 m -67.54 142.01 56.68 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 120.602 -0.439 . . . . 51.12 110.12 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.44 106.14 16.83 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.57 0.7 . . . . 75.33 110.74 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' B' ' 143' ' ' LEU . 4.8 tt -97.3 120.1 37.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.754 1.622 . . . . 74.53 107.261 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 17.9 pt -101.22 143.15 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.059 0.845 . . . . 64.01 110.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 7' ' ' THR . 11.2 mp -101.1 122.3 43.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.02 -0.991 . . . . 72.3 109.134 175.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.61 158.73 15.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.232 -1.025 . . . . 71.44 108.232 170.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.89 166.01 20.41 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 110.204 -0.295 . . . . 75.44 110.204 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.74 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 4.5 t . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 124.346 1.058 . . . . 35.12 113.509 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 120.576 0.227 . . . . 60.5 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 7.7 m-20 -62.75 -52.44 63.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.3 1.0 . . . . 71.11 111.252 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 0.0 OUTLIER -59.28 -28.56 66.86 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.967 0.792 . . . . 73.23 111.923 -169.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 93.3 mttt -59.99 -61.59 2.5 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.0 0.813 . . . . 74.44 110.077 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.91 -41.71 96.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.692 1.245 . . . . 74.33 111.274 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 28.3 mm-40 -63.06 -41.25 99.41 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.442 0.639 . . . . 53.22 110.471 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' C' ' 746' ' ' GLN . 2.6 tp10 -66.32 -43.77 85.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 114.392 -1.276 . . . . 71.12 110.568 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 91.0 mt -67.83 -26.67 66.17 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 124.272 0.982 . . . . 45.12 110.803 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -78.42 -34.42 47.96 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.604 -0.887 . . . . 74.25 108.604 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.28 -37.31 74.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.636 0.774 . . . . 72.25 109.529 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.464 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 14.0 m-85 -66.27 -37.92 86.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.3 -0.864 . . . . 65.34 109.746 173.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.52 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.8 t-105 -66.76 -37.78 85.29 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.479 -1.237 . . . . 75.45 109.828 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 72.5 m -62.82 -36.49 83.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.637 0.775 . . . . 63.52 110.571 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.464 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 21.5 m-85 -56.42 -61.79 2.17 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 123.375 0.422 . . . . 73.44 110.192 169.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.32 -31.1 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 O-C-N 124.526 1.141 . . . . 72.54 111.748 -171.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.401 ' HA ' HD11 ' C' ' 817' ' ' LEU . 47.3 mt-30 -66.43 -61.18 2.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.421 0.689 . . . . 64.41 109.796 175.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -71.4 -18.99 62.32 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.408 -1.269 . . . . 64.35 112.481 -170.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.435 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.3 ppp? -85.79 -57.45 3.04 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 108.418 -0.956 . . . . 64.44 108.418 174.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' C' ' 816' ' ' ARG . 29.5 mt -69.47 -16.14 63.41 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 118.869 0.759 . . . . 64.31 112.998 -174.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . 0.554 HG21 ' HA ' ' A' ' 73' ' ' LEU . 8.9 t -65.81 -22.57 66.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.135 0.574 . . . . 70.3 111.038 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' B' ' 110' ' ' TRP . 4.8 t30 -113.72 -47.72 2.96 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.635 1.174 . . . . 74.41 109.379 174.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' C' ' 761' ' ' MET . 17.1 mt -81.04 59.71 3.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.179 1.392 . . . . 72.3 109.47 -178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.403 ' O ' ' HD2' ' C' ' 816' ' ' ARG . 11.4 pt-20 -80.34 44.01 0.67 Allowed 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.91 1.284 . . . . 75.13 112.938 -171.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 35.5 m 178.6 86.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.44 1.496 . . . . 73.1 109.586 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' C' ' 772' ' ' ARG . 3.2 pp -164.99 154.65 13.16 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.722 0.773 . . . . 61.1 112.478 172.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 24.8 m -66.43 151.3 47.45 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.479 -1.237 . . . . 53.34 111.12 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.573 HD11 HD12 ' C' ' 795' ' ' LEU . 25.4 tp -47.39 -32.12 4.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.838 1.255 . . . . 70.34 112.239 168.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.56 -38.39 74.7 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.336 1.055 . . . . 65.35 112.362 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.515 ' HB2' HD13 ' C' ' 768' ' ' LEU . 0.0 OUTLIER -61.39 -58.05 9.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.966 0.506 . . . . 72.33 110.828 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.2 pp -68.43 -26.92 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.774 -0.648 . . . . 65.43 110.402 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.642 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 73.3 t80 -63.51 -48.01 79.35 Favored 'General case' 0 C--N 1.366 1.302 0 N-CA-C 109.045 -0.724 . . . . 75.01 109.045 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.0 -37.17 86.44 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 123.802 0.689 . . . . 72.11 111.569 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 86.9 mtp -60.41 -61.6 2.48 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.607 0.567 . . . . 72.33 110.002 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.77 -36.54 67.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.657 0.783 . . . . 71.33 111.74 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.438 ' O ' HG12 ' C' ' 781' ' ' VAL . 8.6 tpt180 -68.54 -46.86 68.4 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.154 0.982 . . . . 71.24 110.501 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.01 -57.53 10.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.141 0.576 . . . . 74.44 109.926 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -75.03 -16.43 60.6 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.63 0.604 . . . . 71.54 112.63 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 3.0 p -82.09 -39.72 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 117.838 0.29 . . . . 64.22 110.338 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.67 -30.79 9.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 116.748 -0.206 . . . . 61.24 111.485 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.8 p -73.22 -19.89 60.98 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.192 0.442 . . . . 61.34 112.192 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -125.12 -173.77 13.78 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 115.58 -0.736 . . . . 72.15 112.018 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.01 6.1 5.91 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.893 2.395 . . . . 64.53 113.113 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.01 100.05 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.516 1.526 . . . . 64.34 112.042 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 6.1 mp 52.9 20.77 1.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.318 1.047 . . . . 70.52 112.332 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.95 -79.32 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.318 1.047 . . . . 63.13 110.095 -167.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -153.78 112.93 3.74 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.493 1.117 . . . . 63.22 108.112 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 14.5 pt -73.03 163.35 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.237 0.541 . . . . 73.41 110.521 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -126.26 172.82 9.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.105 -0.952 . . . . 73.23 109.747 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.03 -40.03 87.93 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 118.416 -0.802 . . . . 72.12 112.587 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.04 -25.0 59.62 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.777 0.717 . . . . 73.11 111.692 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.82 -46.43 68.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.678 0.751 . . . . 74.41 109.729 171.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.642 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -69.05 -43.12 75.31 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.304 -1.317 . . . . 74.34 109.787 -176.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -65.0 -41.98 94.9 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.319 -1.31 . . . . 50.14 110.13 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.2 -36.4 92.33 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 124.527 1.142 . . . . 70.3 113.27 172.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.52 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 25.4 t80 -68.8 -46.34 68.93 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.11 0.564 . . . . 73.43 110.657 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.475 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.1 mm? -66.72 -36.09 81.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.425 0.69 . . . . 74.04 111.053 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 124.016 0.823 . . . . 73.1 109.395 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -56.63 -58.05 9.74 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 124.491 1.12 . . . . 65.44 110.195 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.44 -30.17 70.41 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.734 1.013 . . . . 74.11 113.734 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 64.9 t -72.98 -46.32 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 109.702 -0.481 . . . . 63.24 109.702 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -78.22 -8.97 58.98 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.81 0.444 . . . . 73.54 112.117 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.94 -0.97 57.68 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.1 1.36 . . . . 71.23 110.346 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.51 21.29 12.42 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.412 1.485 . . . . 74.22 111.54 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -101.56 -24.25 14.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.416 1.086 . . . . 63.34 111.822 -168.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.51 143.21 45.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.786 0.834 . . . . 71.01 108.904 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.24 121.98 57.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 108.832 -0.803 . . . . 75.54 108.832 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.42 108.57 21.08 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.465 -1.309 . . . . 72.13 107.465 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.683 ' HB3' HG13 ' C' ' 814' ' ' VAL . 32.4 t -82.19 -152.47 0.1 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 108.896 -0.779 . . . . 71.14 108.896 171.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.74 74.62 1.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 118.925 0.784 . . . . 73.41 111.757 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 68.46 30.28 73.19 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.772 -0.531 . . . . 63.43 111.772 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.683 HG13 ' HB3' ' C' ' 811' ' ' SER . 3.6 p -145.78 142.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.009 0.924 . . . . 72.3 108.979 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -100.83 151.15 22.06 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.248 0.547 . . . . 71.11 111.818 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.644 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.3 OUTLIER -162.83 158.42 22.66 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.319 -1.31 . . . . 72.42 109.756 173.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.6 mt -91.97 145.05 30.2 Favored Pre-proline 0 N--CA 1.481 1.087 0 O-C-N 122.256 -0.277 . . . . 62.22 111.642 174.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.369 1.638 0 C-N-CA 122.844 2.363 . . . . 70.11 110.688 166.229 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.659 -0.576 . . . . 73.01 111.659 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 146.73 48.01 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.187 -0.671 . . . . 73.24 109.187 -174.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.608 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 1.9 mp0 -87.81 164.01 16.15 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.818 -0.628 . . . . 73.34 111.776 -168.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.83 150.34 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 107.933 -1.136 . . . . 71.14 107.933 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -110.35 111.37 22.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.113 -1.069 . . . . 62.14 108.113 171.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.64 HG22 HD23 ' B' ' 167' ' ' LEU . 85.2 t -89.59 97.74 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 108.198 -1.038 . . . . 61.34 108.198 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -81.14 99.2 8.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.81 0.844 . . . . 64.24 109.036 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 111' ' ' LYS . 9.3 t -91.39 118.61 30.68 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.653 -0.703 . . . . 41.11 109.236 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 m -110.04 144.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 115.561 -0.745 . . . . 64.22 109.982 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 29.9 mm-40 -122.85 88.32 2.91 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.31 0.644 . . . . 65.52 110.856 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HE3' HG22 ' B' ' 108' ' ' VAL . 51.4 t-105 -93.3 110.43 21.96 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.589 -1.263 . . . . 63.13 107.589 168.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -156.02 139.35 15.72 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.615 0.572 . . . . 65.33 110.385 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 14.8 m -81.46 122.45 27.53 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.531 0.732 . . . . 73.13 110.238 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -94.23 113.66 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 109.089 -0.708 . . . . 72.5 109.089 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -84.05 112.83 20.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.242 -0.651 . . . . 73.1 109.242 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.56 167.75 19.46 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 109.043 -0.725 . . . . 64.24 109.043 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -111.49 142.85 43.23 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.348 0.594 . . . . 72.33 109.781 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.3 177.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.525 1.13 . . . . 63.34 108.897 169.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.25 156.31 76.86 Favored Pre-proline 0 N--CA 1.473 0.685 0 N-CA-C 108.046 -1.094 . . . . 71.13 108.046 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.97 -30.46 91.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 121.909 1.739 . . . . 74.14 112.398 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -72.78 -21.5 60.98 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.974 0.796 . . . . 52.22 111.957 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.38 153.87 41.59 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.789 0.436 . . . . 60.1 110.73 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.6 p -92.92 160.85 14.72 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.354 0.597 . . . . 72.1 110.47 169.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 17.8 mm -70.34 -25.24 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 114.528 -1.214 . . . . 74.25 110.195 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.82 -23.59 66.34 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.08 0.952 . . . . 72.33 111.473 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 90.6 m-20 -60.23 -59.01 6.09 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.94 0.775 . . . . 54.51 109.33 171.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 30' ' ' ILE . 60.6 t -57.06 -48.04 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 73.3 109.801 -178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -52.14 -50.4 61.82 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.272 1.429 . . . . 74.35 110.999 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.11 -28.08 61.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.686 0.394 . . . . 61.12 111.824 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 9.7 mmpt? -70.62 -48.47 54.91 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.474 0.31 . . . . 73.12 110.267 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 36' ' ' ILE . 10.2 pt -70.46 -32.67 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.533 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.98 -35.87 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.804 0.442 . . . . 62.45 111.121 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.12 -51.55 24.41 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.604 0.762 . . . . 64.12 110.51 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -82.67 -56.94 3.55 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.892 -1.049 . . . . 75.11 111.237 -171.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.558 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 1.8 mp0 -75.55 -27.89 58.82 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.689 0.396 . . . . 72.31 110.895 -177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.06 58.15 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 123.706 0.629 . . . . 62.12 112.027 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.548 HD11 ' HB ' ' A' ' 30' ' ' ILE . 21.9 pt -89.58 114.83 62.05 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.023 0.529 . . . . 71.11 110.392 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -63.82 134.61 44.38 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.586 2.19 . . . . 75.43 111.026 175.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.65 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 2.3 Cg_endo -47.05 -31.88 12.29 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 124.178 3.252 . . . . 71.33 113.128 166.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.13 -46.66 68.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 114.294 -1.321 . . . . 73.11 110.998 172.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -99.1 -3.19 35.21 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.844 1.257 . . . . 64.15 112.07 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.65 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 6.7 tt0 -96.06 108.88 21.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.266 1.427 . . . . 64.42 110.106 -175.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 15.7 mtp180 -108.86 74.1 0.89 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.09 -1.448 . . . . 74.31 107.09 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.95 115.93 22.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.262 0.625 . . . . 71.52 109.47 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.734 HG12 ' HG3' ' A' ' 49' ' ' GLN . 42.8 mt -119.94 138.99 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 121.269 0.556 . . . . 75.21 109.59 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' HB3' HD21 ' A' ' 50' ' ' LEU . 31.4 t80 -131.75 119.0 20.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 64.24 108.819 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.33 22.63 11.01 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.944 0.897 . . . . 63.35 112.745 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 92.34 12.95 57.98 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 116.158 -0.473 . . . . 53.22 113.752 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.09 125.74 27.03 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.248 0.619 . . . . 53.25 109.797 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.734 ' HG3' HG12 ' A' ' 44' ' ' ILE . 22.2 mp0 -74.66 130.37 39.4 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.422 0.689 . . . . 70.44 109.172 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.7 mt -88.29 106.45 18.23 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.612 -0.722 . . . . 61.33 109.736 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.524 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 40.1 mt-10 -71.37 124.5 24.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.849 -1.167 . . . . 74.12 107.849 171.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 6.0 p-10 -63.46 -22.19 66.75 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.83 0.706 . . . . 70.14 112.422 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -2.72 63.86 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 116.03 -0.532 . . . . 73.44 114.274 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HD3' ' HB2' ' A' ' 51' ' ' GLU . 2.9 mpt_? -94.72 178.0 5.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.537 0.669 . . . . 70.31 109.544 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 m -112.58 158.0 20.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.322 . . . . 75.32 108.392 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.07 -37.01 85.51 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 65.32 109.46 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.4 -31.58 72.77 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.758 0.823 . . . . 51.33 112.259 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.79 -28.34 65.87 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.026 0.53 . . . . 64.41 111.232 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.39 -2.38 25.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.987 0.515 . . . . 74.24 111.599 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.58 43.49 22.48 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.151 0.907 . . . . 70.43 110.229 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.24 116.32 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.944 -1.025 . . . . 73.13 111.622 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.04 -178.64 7.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.844 -1.071 . . . . 74.51 110.707 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 37.8 ttmt -79.83 138.8 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.216 -0.661 . . . . 74.24 109.216 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 38.2 mt-10 62.89 30.49 16.54 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.016 1.326 . . . . 73.14 112.153 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.569 ' HB2' HG22 ' B' ' 103' ' ' ILE . 74.9 m -56.84 135.04 55.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.555 0.742 . . . . 61.54 110.968 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.41 113.87 27.36 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.743 0.701 . . . . 35.12 111.107 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -118.8 125.6 49.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.922 -1.14 . . . . 62.15 107.922 -176.443 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 tt -97.81 128.5 49.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.503 0.668 . . . . 75.03 109.554 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.614 HD23 ' H ' ' B' ' 108' ' ' VAL . 34.3 tp -87.04 115.27 24.31 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.097 -0.956 . . . . 75.12 108.594 170.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 4.0 mp -100.73 126.09 47.24 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.691 -1.596 . . . . 65.2 106.691 170.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' B' ' 108' ' ' VAL . 4.1 mm? -81.32 170.89 15.46 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.472 -0.566 . . . . 61.54 109.472 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -38.43 96.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.562 0.745 . . . . 75.52 112.604 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 760' ' ' ALA . 3.3 tm? -67.82 -57.2 6.69 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.361 -1.718 . . . . 71.33 106.361 166.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 113.172 -1.831 . . . . 74.13 107.703 172.354 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 113.209 0.044 . . . . 72.13 113.209 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.58 156.27 17.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.132 0.573 . . . . 73.31 110.147 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.476 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 12.4 mm-40 -85.26 160.6 19.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.822 -0.436 . . . . 72.42 109.822 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.569 HG22 ' HB2' ' A' ' 65' ' ' SER . 30.4 pt -147.17 149.71 15.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.001 0 C-N-CA 123.85 0.86 . . . . 70.24 108.964 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 15.3 m-30 -112.33 102.67 10.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.343 1.057 . . . . 75.52 108.195 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.21 101.06 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 109.257 -0.646 . . . . 72.05 109.257 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.84 96.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.777 0.831 . . . . 74.12 109.187 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 5.9 t -92.09 144.36 25.52 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 123.573 0.749 . . . . 72.41 109.832 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.614 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -120.17 140.98 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.177 -0.675 . . . . 71.3 109.177 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 71.5 mm-40 -132.34 159.32 39.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.45 0.7 . . . . 73.24 110.79 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -136.54 134.05 37.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.42 -1.326 . . . . 74.42 107.42 171.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' THR . 75.4 mmtt -140.24 149.58 43.05 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.406 -1.331 . . . . 73.21 107.406 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 63.6 m -119.64 132.9 55.8 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.572 -0.529 . . . . 71.02 109.572 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.1 mm -110.59 125.0 67.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 107.134 -1.432 . . . . 64.14 107.134 176.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.3 m -103.47 127.23 50.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.833 0.742 . . . . 61.51 109.67 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.99 170.0 16.29 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.101 -1.074 . . . . 73.35 108.101 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.0 tt0 -124.01 145.28 49.31 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.201 -0.666 . . . . 75.41 109.201 170.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 p -134.38 171.08 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 122.93 0.492 . . . . 72.11 110.244 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.02 151.56 44.97 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.805 0.842 . . . . 72.52 109.181 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.36 -29.99 45.22 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.251 1.967 . . . . 73.4 112.458 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.4 m -78.06 -14.09 59.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.991 0.916 . . . . 73.53 112.618 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.407 ' HB3' HD22 ' B' ' 125' ' ' ASN . 0.8 OUTLIER -75.85 159.73 30.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.888 0.375 . . . . 65.43 109.99 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 160.89 14.61 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.878 0.871 . . . . 73.34 110.683 171.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' B' ' 150' ' ' LEU . 39.9 mm -65.63 -28.04 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 114.636 -1.166 . . . . 73.12 110.729 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.418 ' HA ' ' HE3' ' B' ' 127' ' ' LYS . 17.1 pt-20 -59.74 -31.91 70.07 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.325 0.65 . . . . 60.4 111.316 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.407 HD22 ' HB3' ' B' ' 121' ' ' ASP . 63.4 m-20 -63.17 -46.66 86.09 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.1 0.96 . . . . 64.4 110.041 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.86 -48.13 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.869 0.867 . . . . 64.21 110.695 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.457 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.1 OUTLIER -68.8 -34.92 76.34 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.768 -0.196 . . . . 74.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.38 89.27 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.62 0.368 . . . . 72.42 111.238 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' B' ' 133' ' ' LYS . 17.1 ptpt -73.35 -41.45 63.43 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-O 118.567 -0.73 . . . . 73.41 111.289 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.402 ' HB ' HD11 ' B' ' 136' ' ' ILE . 2.6 pp -63.18 -41.61 93.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 CA-C-N 119.156 0.889 . . . . 72.01 110.011 176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.11 -43.05 86.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.901 0.751 . . . . 64.23 111.045 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.37 -50.99 65.54 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.942 0.897 . . . . 54.25 111.354 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 73.1 mmtt -66.46 -62.8 1.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.41 -0.814 . . . . 74.32 111.258 -173.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' B' ' 136' ' ' ILE . 37.5 mt-10 -80.5 -46.83 15.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.582 0.23 . . . . 63.32 111.61 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.7 35.52 2.8 Favored Glycine 0 N--CA 1.476 1.328 0 N-CA-C 110.914 -0.874 . . . . 71.14 110.914 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.5 HG12 ' HB2' ' B' ' 134' ' ' GLU . 1.5 pt -105.93 100.29 27.23 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 125.488 1.515 . . . . 52.04 110.345 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.479 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 28.0 Cg_endo -64.54 117.6 4.65 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.552 2.168 . . . . 75.04 111.166 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.457 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 33.8 Cg_endo -61.8 -20.7 70.16 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.289 2.659 . . . . 74.1 112.79 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.25 -47.17 87.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.263 -1.335 . . . . 72.31 109.518 172.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.479 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -97.14 -3.29 41.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.882 1.273 . . . . 55.42 110.843 -177.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -128.42 101.52 6.24 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.139 -0.689 . . . . 74.2 109.139 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.57 112.21 16.6 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.264 -0.643 . . . . 72.34 109.264 177.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' B' ' 167' ' ' LEU . 5.5 mp -75.82 139.7 41.89 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.577 -0.527 . . . . 74.34 109.577 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 148' ' ' LYS . 17.5 t70 -123.31 114.04 19.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.607 0.763 . . . . 72.4 108.954 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.586 ' HB2' HD21 ' B' ' 150' ' ' LEU . 6.0 t80 -109.19 97.92 7.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.619 -0.882 . . . . 71.33 108.619 -171.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 47.52 32.79 2.53 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.663 0.785 . . . . 63.21 112.361 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.411 ' HA2' HH12 ' C' ' 816' ' ' ARG . . . 94.56 17.59 38.47 Favored Glycine 0 C--N 1.351 1.362 0 N-CA-C 114.193 0.437 . . . . 50.01 114.193 -175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 144' ' ' ASP . 41.3 mmtm -107.56 173.71 6.2 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.813 0.806 . . . . 74.02 109.861 172.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -133.82 127.53 32.84 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.582 -1.636 . . . . 71.23 106.582 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.5 mm? -88.41 137.78 32.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.637 0.775 . . . . 71.04 110.3 -167.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 5.6 mp0 -89.32 126.97 35.74 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.761 -1.199 . . . . 55.41 107.761 166.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -62.21 -35.83 80.07 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.064 0.459 . . . . 65.43 110.818 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.27 21.05 13.75 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.898 -0.592 . . . . 72.11 113.239 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 13.0 tpt180 -104.95 174.14 6.01 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.888 -1.153 . . . . 65.25 107.888 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 34.8 m -116.72 150.1 38.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.452 0.701 . . . . 74.54 110.181 -174.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.555 HD12 HG13 ' B' ' 161' ' ' ILE . 4.1 mm? -58.91 -42.54 89.88 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.601 0.76 . . . . 74.23 111.163 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -58.07 -35.21 71.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.408 0.683 . . . . 63.23 112.255 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.35 -29.51 67.72 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.339 0.656 . . . . 64.42 111.39 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -96.9 -4.88 39.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 119.095 -0.479 . . . . 74.2 111.184 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.97 58.11 5.66 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 122.202 1.001 . . . . 74.25 110.276 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.555 HG13 HD12 ' B' ' 156' ' ' LEU . 22.0 mm -66.44 114.66 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 114.002 -1.454 . . . . 70.45 111.114 -172.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -81.71 148.56 28.91 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 109.199 -0.667 . . . . 61.34 109.199 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -57.66 131.08 49.18 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.313 -0.625 . . . . 74.34 109.313 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 73.63 22.84 2.51 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.391 1.057 . . . . 73.33 111.504 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 75.5 m -51.12 127.26 18.69 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 111.669 0.248 . . . . 44.34 111.669 166.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.17 140.15 31.93 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.39 0.614 . . . . 65.21 110.174 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' B' ' 143' ' ' LEU . 23.0 tp -145.35 107.44 4.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.101 0.96 . . . . 72.53 108.81 -170.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.01 124.83 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.535 0.683 . . . . 63.01 110.715 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' A' ' 7' ' ' THR . 79.4 mt -72.64 107.18 4.99 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.381 -0.827 . . . . 75.2 110.598 172.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.3 mt -95.79 156.54 16.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.215 -1.031 . . . . 65.4 108.215 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.48 173.5 10.26 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.185 0.594 . . . . 73.51 109.903 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.485 1.313 0 C-N-CA 124.349 1.059 . . . . 64.42 112.398 172.499 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 112.504 0.557 . . . . 63.21 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.36 -51.53 67.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.437 0.695 . . . . 65.01 111.077 -170.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -53.63 -30.91 45.14 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.456 0.702 . . . . 74.22 112.555 -173.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.55 -62.92 1.51 Allowed 'General case' 0 C--N 1.345 0.375 0 O-C-N 124.235 0.959 . . . . 73.14 110.466 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.79 -28.12 65.47 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.263 -0.88 . . . . 74.04 111.517 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.49 -46.34 73.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.525 -0.546 . . . . 74.3 109.525 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -70.37 -37.23 74.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.204 -0.907 . . . . 64.21 110.604 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.8 -34.64 77.17 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.084 0.553 . . . . 63.11 111.719 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.87 -40.58 72.2 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.045 -1.095 . . . . 72.23 108.045 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.22 -45.96 91.0 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.243 0.964 . . . . 72.14 110.836 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.509 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 16.4 m-30 -57.74 -47.66 81.83 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.626 0.726 . . . . 61.43 109.814 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -66.95 -26.67 66.95 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.181 -1.372 . . . . 74.52 111.003 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.2 m -67.75 -40.78 84.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.113 -0.699 . . . . 74.24 109.113 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.509 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 35.0 m-85 -59.45 -57.71 11.78 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 120.655 0.264 . . . . 74.32 110.958 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.721 HD11 HD11 ' C' ' 777' ' ' LEU . 20.3 mt -66.19 -43.32 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.273 0.983 . . . . 70.43 110.634 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.75 -48.9 70.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.033 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.44 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -69.22 -32.24 71.36 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.616 0.598 . . . . 44.33 112.616 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 25.5 ptm -72.37 -44.17 62.94 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.652 -0.87 . . . . 74.1 108.652 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' C' ' 768' ' ' LEU . 39.1 mt -71.1 -10.62 60.07 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 71.24 112.812 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 17.5 m -77.23 -17.0 58.8 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.222 1.009 . . . . 71.22 111.693 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -119.82 -53.15 2.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.21 0.604 . . . . 74.14 110.623 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -99.09 83.37 2.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 107.664 -1.236 . . . . 72.22 107.664 172.256 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' C' ' 762' ' ' LEU . 38.7 mp0 -71.62 66.39 0.51 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 116.123 -0.49 . . . . 75.23 111.425 175.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 11.4 m 167.98 139.79 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.367 2.667 . . . . 62.23 108.398 167.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' C' ' 762' ' ' LEU . 0.8 OUTLIER -158.14 143.36 16.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.889 -1.051 . . . . 45.33 109.388 172.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 15.8 m -80.96 145.11 31.39 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.447 -1.316 . . . . 73.03 107.447 167.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.483 ' O ' HD12 ' C' ' 770' ' ' LEU . 5.1 tp -59.48 -28.58 67.14 Favored 'General case' 0 C--O 1.204 -1.337 0 O-C-N 124.017 0.823 . . . . 71.42 112.371 -170.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.79 -39.4 65.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 119.348 0.976 . . . . 74.13 111.698 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' C' ' 768' ' ' LEU . 69.8 mtt180 -66.61 -61.08 2.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.04 0.936 . . . . 72.13 110.13 -175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -34.24 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 113.841 -1.527 . . . . 72.44 110.834 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' C' ' 795' ' ' LEU . 9.7 t80 -66.95 -45.72 76.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.435 0.694 . . . . 74.34 111.252 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.776 0.43 . . . . 74.25 110.324 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 33.1 mtm -65.13 -55.88 16.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.65 -0.705 . . . . 74.5 110.626 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.721 HD11 HD11 ' C' ' 758' ' ' ILE . 4.9 mt -55.45 -35.71 65.75 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.041 0.536 . . . . 72.12 111.075 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -59.09 -55.96 28.38 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.283 1.033 . . . . 62.11 110.584 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -58.23 -46.64 85.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.931 0.77 . . . . 75.12 110.733 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -65.21 -39.15 92.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.098 0.559 . . . . 73.25 112.226 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.434 HG21 ' H ' ' C' ' 790' ' ' ILE . 4.9 p -75.81 -31.31 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.75 0.25 . . . . 63.31 111.329 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.24 -27.05 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 112.145 0.424 . . . . 74.33 112.145 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.3 p -66.27 -23.83 66.47 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 112.239 0.459 . . . . 72.12 112.239 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -127.41 172.72 18.71 Favored Glycine 0 N--CA 1.462 0.372 0 N-CA-C 110.767 -0.933 . . . . 65.4 110.767 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.31 -32.87 97.51 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.375 2.05 . . . . 71.04 111.34 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 37.04 -89.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.944 2.098 . . . . 33.13 114.839 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.83 24.81 2.83 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.985 0.914 . . . . 74.14 110.984 -171.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.74 33.44 20.16 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.194 0.998 . . . . 74.4 111.603 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 65.48 112.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.684 1.593 . . . . 65.14 111.356 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.8 pt -72.86 153.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 121.499 0.666 . . . . 74.12 110.151 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.92 176.28 5.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.961 -1.018 . . . . 74.03 109.464 -173.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.87 -53.0 61.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.558 0.743 . . . . 75.01 111.252 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.25 -25.07 66.71 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.882 0.31 . . . . 70.02 111.305 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.3 10.76 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 109.082 -0.71 . . . . 60.13 109.082 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' C' ' 774' ' ' TYR . 2.7 tt -65.76 -51.1 61.88 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.318 1.447 . . . . 64.32 110.497 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.32 -38.82 77.89 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.853 0.861 . . . . 74.35 110.555 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.48 80.82 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.796 0.685 . . . . 72.02 113.549 170.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.56 -45.97 90.51 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.722 0.809 . . . . 73.45 110.312 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 57.8 mt -67.55 -45.94 74.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.205 -1.361 . . . . 54.32 112.493 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -28.03 66.88 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.901 -0.407 . . . . 52.11 109.901 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.12 64.7 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 108.697 -0.853 . . . . 64.42 108.697 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -57.13 -37.01 71.39 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.452 0.47 . . . . 71.31 112.249 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 93.9 t -65.37 -43.35 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 121.047 0.451 . . . . 75.33 110.759 174.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -79.92 -8.08 59.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.002 0.921 . . . . 75.02 112.276 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -88.05 -5.56 58.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.713 1.205 . . . . 71.1 109.715 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.98 12.73 7.12 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.679 1.592 . . . . 64.4 111.561 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -78.93 -37.44 39.77 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.389 1.075 . . . . 64.02 110.32 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 45.4 tp -127.49 138.85 53.05 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 65.01 109.495 -167.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.03 135.23 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.086 0.954 . . . . 72.32 109.695 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -93.11 116.06 28.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.257 -1.016 . . . . 74.01 108.257 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 24.5 t -89.5 -139.71 0.13 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.963 -0.754 . . . . 75.03 108.963 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.81 71.87 2.01 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.678 0.672 . . . . 72.21 110.812 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.99 19.25 78.9 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.249 -0.887 . . . . 53.44 113.741 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.82 165.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.647 0.779 . . . . 70.53 109.942 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.83 140.62 37.41 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.241 -0.651 . . . . 63.54 109.241 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.588 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.1 OUTLIER -151.33 132.21 14.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.728 0.811 . . . . 73.3 109.469 178.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.91 135.14 70.99 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 109.258 -0.645 . . . . 53.32 109.258 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--N 1.379 2.177 0 C-N-CA 123.419 2.746 . . . . 75.44 111.794 170.472 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 120.059 -0.3 . . . . 74.3 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.477 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -105.46 145.59 30.66 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.098 0.559 . . . . 75.33 110.307 -174.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.4 OUTLIER -101.07 119.87 39.37 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.38 -0.6 . . . . 70.35 109.38 -174.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 pt -117.25 161.96 15.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-O 121.162 0.506 . . . . 62.1 110.229 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 11.8 m-85 -112.46 118.82 36.22 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.341 -0.985 . . . . 65.43 108.341 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 115' ' ' LEU . 52.9 t -96.37 91.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 106.95 -1.5 . . . . 73.4 106.95 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' B' ' 168' ' ' ILE . 4.8 m-20 -80.86 100.25 8.74 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.046 -1.434 . . . . 41.33 109.929 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.428 HG23 ' HB2' ' B' ' 111' ' ' LYS . 5.5 t -99.38 112.39 24.58 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.394 0.616 . . . . 62.53 109.631 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' B' ' 110' ' ' TRP . 8.4 p -94.35 127.53 46.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 108.99 -0.744 . . . . 71.22 108.99 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 85.7 mm-40 -108.59 81.19 1.43 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.473 -1.306 . . . . 70.03 107.473 176.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.739 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 7.3 t-105 -112.42 102.17 10.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 107.15 -1.426 . . . . 72.33 107.15 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' NZ ' ' HB2' ' B' ' 171' ' ' LEU . 34.5 mttt -163.57 157.82 19.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.853 0.861 . . . . 74.13 112.039 -173.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 ' HB3' ' B' ' 104' ' ' PHE . 59.6 m -75.53 120.3 20.76 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.76 -1.564 . . . . 44.24 111.336 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.15 113.8 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.796 -1.187 . . . . 73.12 107.796 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.46 HG22 ' CD1' ' B' ' 104' ' ' PHE . 24.5 p -93.63 101.61 13.77 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.883 0.373 . . . . 73.23 110.126 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -120.61 171.27 8.69 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 115.679 -0.691 . . . . 64.34 109.249 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 38.5 tt0 -124.78 127.46 47.24 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.17 -1.048 . . . . 74.44 108.17 171.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -122.94 167.94 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.492 0.717 . . . . 72.15 109.217 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.24 149.88 36.43 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 109.862 -0.421 . . . . 74.12 109.862 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.83 -36.07 92.11 Favored 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.601 2.201 . . . . 74.35 111.685 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -79.46 -11.36 59.91 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.433 1.083 . . . . 72.12 113.187 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 164.4 24.38 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.898 0.317 . . . . 72.44 110.353 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.8 p -90.43 161.5 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 63.33 111.207 173.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.558 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.9 mm -65.07 -25.22 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 115.091 -0.959 . . . . 71.22 110.781 175.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 7.7 pt-20 -62.44 -19.09 63.14 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 122.956 0.503 . . . . 72.1 111.455 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.96 -41.78 70.64 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.019 0.528 . . . . 73.42 110.853 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.56 -41.76 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.129 -0.693 . . . . 70.4 109.129 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -52.08 -51.19 59.27 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.791 0.837 . . . . 74.43 111.125 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.11 82.51 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 114.79 -1.095 . . . . 72.21 111.036 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -75.54 -34.93 60.79 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 123.598 0.561 . . . . 73.13 112.463 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 36' ' ' ILE . 21.6 pt -71.57 -33.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.0 0.818 . . . . 72.33 109.65 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.46 -35.19 77.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.35 1.06 . . . . 74.34 110.94 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.1 -44.08 49.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.236 1.014 . . . . 65.44 111.871 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.56 -52.09 6.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.259 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -106.26 -8.99 17.03 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 112.153 0.427 . . . . 72.42 112.153 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 10.58 84.61 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 119.82 -0.434 . . . . 71.12 114.137 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.486 HD12 ' HB ' ' A' ' 30' ' ' ILE . 83.0 mt -63.59 126.59 89.93 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 124.091 0.957 . . . . 74.05 111.5 -172.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.5 Cg_exo -66.82 122.96 10.41 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.814 2.343 . . . . 70.25 112.484 174.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 1.8 Cg_endo -48.22 -34.27 23.89 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 124.278 3.318 . . . . 70.4 113.434 165.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.3 -36.08 72.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.73 -1.123 . . . . 72.43 111.618 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 18.5 mt-30 -98.8 -0.29 42.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.016 0.527 . . . . 71.52 112.358 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.11 122.55 24.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.352 1.061 . . . . 72.21 110.78 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 26.8 mtp-105 -125.58 77.98 1.7 Allowed 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.694 -1.595 . . . . 72.13 106.694 167.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 117.8 20.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 60.05 109.843 -175.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG21 ' CE1' ' C' ' 757' ' ' TYR . 8.7 mm -110.04 139.36 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 108.877 -0.786 . . . . 74.05 108.877 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HD1' ' HG ' ' A' ' 67' ' ' LEU . 86.1 t80 -121.43 100.59 7.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.685 1.194 . . . . 52.54 108.933 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.45 26.88 13.15 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.592 0.757 . . . . 64.52 112.374 174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 96.55 11.91 52.42 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.807 -0.633 . . . . 72.32 114.411 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -126.55 127.06 44.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.359 0.664 . . . . 72.33 110.293 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.475 HE22 HD11 ' C' ' 753' ' ' LEU . 24.5 mp0 -78.95 132.87 36.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.717 0.807 . . . . 64.2 110.686 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 36.3 mt -94.78 117.33 29.96 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.729 0.812 . . . . 61.31 111.44 -175.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -81.85 128.73 34.33 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.9 -1.148 . . . . 73.15 107.9 165.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.558 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.0 p-10 -63.85 -24.09 67.61 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.357 0.663 . . . . 73.32 112.386 -172.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.75 76.16 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 115.652 -0.704 . . . . 51.13 114.028 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -81.19 171.99 14.2 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.226 0.61 . . . . 65.12 109.835 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.3 m -98.7 160.14 14.47 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.848 0.859 . . . . 65.31 109.498 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD13 HD12 ' A' ' 61' ' ' ILE . 3.9 mm? -61.05 -48.99 79.18 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.506 -0.553 . . . . 62.12 109.506 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 t -66.32 -21.94 66.27 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.226 -0.897 . . . . 74.43 112.142 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' THR . 11.7 t70 -54.89 -38.33 67.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.127 0.571 . . . . 70.11 110.178 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HB2' HG13 ' A' ' 61' ' ' ILE . 99.1 m-85 -99.04 -0.5 41.8 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 74.21 111.57 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.86 41.1 21.93 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.668 0.747 . . . . 74.13 110.124 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 59' ' ' TYR . 39.1 mt -64.16 111.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-N 115.604 -0.725 . . . . 73.33 109.643 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.44 -173.81 2.87 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.509 -0.768 . . . . 54.05 110.897 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.65 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.41 147.26 40.1 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.681 -0.69 . . . . 74.32 110.812 176.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.26 26.93 12.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.319 1.447 . . . . 75.32 112.937 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 103' ' ' ILE . 69.2 m -71.34 134.41 46.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.121 0.568 . . . . 64.55 110.31 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SD ' ' C' ' 779' ' ' MET . . . -98.22 113.38 25.29 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.286 0.565 . . . . 71.43 110.498 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' HD1' ' A' ' 45' ' ' PHE . 2.4 mp -104.12 153.12 21.3 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.916 1.287 . . . . 73.2 108.286 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HZ ' ' C' ' 780' ' ' PHE . 8.6 tt -124.94 134.97 65.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.146 -0.687 . . . . 73.04 109.146 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' H ' ' B' ' 108' ' ' VAL . 26.7 tp -96.22 118.28 32.46 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.465 -0.789 . . . . 74.31 109.352 172.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 6.9 mp -96.71 136.5 37.16 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.998 -1.482 . . . . 50.24 106.998 166.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.43 158.5 20.2 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 40' ' ' GLN . 82.9 m -35.75 110.78 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.782 0.833 . . . . 52.41 112.758 170.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HG ' ' HG3' ' A' ' 74' ' ' ARG . 21.7 tp -69.72 -53.5 18.17 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.267 -1.333 . . . . 74.44 110.936 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG3' ' HG ' ' A' ' 73' ' ' LEU . 44.0 mtm180 . . . . . 0 C--O 1.248 0.996 0 N-CA-C 109.37 -0.604 . . . . 72.42 109.37 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 112.876 -0.09 . . . . 74.24 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.5 145.52 43.25 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.678 0.791 . . . . 50.31 109.228 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -87.05 155.51 20.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.187 0.595 . . . . 71.01 109.529 -177.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 65' ' ' SER . 29.2 pt -149.13 152.45 12.03 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 CA-C-O 121.292 0.567 . . . . 64.51 109.845 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 12' ' ' THR . 10.0 m-85 -111.72 99.57 8.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.432 -1.258 . . . . 74.02 107.605 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 15' ' ' LEU . 48.2 t -100.46 104.43 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 N-CA-C 108.828 -0.804 . . . . 72.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 11.2 t70 -80.22 99.62 7.91 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.192 -1.04 . . . . 72.3 108.192 -175.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 63.1 p -100.06 141.18 33.23 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.874 0.87 . . . . 51.22 111.369 -171.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.739 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 4.0 p -119.96 132.06 70.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 CA-C-O 121.74 0.781 . . . . 75.44 111.926 170.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -135.62 97.53 3.69 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.261 -1.336 . . . . 75.41 107.467 166.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 8' ' ' VAL . 10.9 t-105 -73.68 130.34 39.8 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.369 -1.345 . . . . 73.44 107.369 171.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 7' ' ' THR . 7.0 mtpm? -132.0 155.47 47.95 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.576 1.151 . . . . 75.24 108.643 -174.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 30.4 m -135.29 123.2 22.58 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.952 0.501 . . . . 74.42 110.596 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 38.4 mt -95.69 152.36 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 107.605 -1.257 . . . . 62.41 107.605 168.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -135.6 113.54 11.16 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.401 -0.962 . . . . 64.25 108.401 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.671 HD13 ' HD2' ' B' ' 129' ' ' LYS . 0.9 OUTLIER -128.64 167.8 16.67 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.174 -0.921 . . . . 70.41 108.93 -177.136 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 31.3 tt0 -108.97 147.19 32.64 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.861 -1.163 . . . . 74.21 107.861 163.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.21 163.88 7.29 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 N-CA-C 109.399 -0.593 . . . . 74.41 109.399 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -108.12 152.71 41.93 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 109.202 -0.666 . . . . 73.42 109.202 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . 0.415 ' HB2' ' HB2' ' B' ' 157' ' ' SER . 43.8 Cg_endo -65.15 -34.65 45.2 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.372 2.048 . . . . 70.43 111.465 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -74.78 -15.88 60.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.912 0.885 . . . . 54.31 111.967 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.08 146.21 49.41 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 109.642 -0.503 . . . . 72.11 109.642 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -84.69 168.15 15.52 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 123.754 0.659 . . . . 73.33 110.697 167.33 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.44 HG12 ' O ' ' B' ' 154' ' ' ARG . 37.4 mm -73.25 -17.13 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.883 -0.598 . . . . 74.33 109.632 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.472 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -56.21 -34.73 66.57 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 123.331 0.652 . . . . 71.23 110.714 174.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.54 -42.89 98.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.309 0.644 . . . . 72.12 110.584 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.39 -45.45 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.513 -0.767 . . . . 74.41 110.568 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.607 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -67.52 -36.3 80.76 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.0 0.429 . . . . 74.54 111.026 177.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.482 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -65.84 -41.75 91.35 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.79 -0.641 . . . . 43.12 111.054 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.671 ' HD2' HD13 ' B' ' 115' ' ' LEU . 18.0 ptpt -74.92 -40.84 60.62 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.987 -0.53 . . . . 63.01 110.889 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.469 HD11 HE21 ' B' ' 141' ' ' GLN . 32.1 pt -66.96 -26.28 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 119.026 0.83 . . . . 54.03 110.706 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -73.73 -42.74 60.74 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 122.122 -0.361 . . . . 73.42 110.834 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.69 -35.4 80.92 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.408 0.683 . . . . 64.42 111.409 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 66.3 mmtt -96.67 -50.52 4.67 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.21 -0.904 . . . . 74.01 111.127 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -101.94 -24.43 14.01 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.797 0.439 . . . . 75.13 111.873 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 88.68 15.43 59.84 Favored Glycine 0 N--CA 1.479 1.526 0 CA-C-O 120.118 -0.268 . . . . 71.14 113.591 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.413 HD13 HD21 ' B' ' 169' ' ' LEU . 74.0 mt -74.64 121.56 85.53 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.657 0.783 . . . . 75.43 110.204 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.2 126.38 11.06 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.217 2.611 . . . . 72.14 112.229 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.607 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.2 Cg_endo -52.86 -47.27 28.33 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 123.951 3.101 . . . . 74.25 113.969 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -26.58 66.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.35 111.153 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -109.52 15.96 22.57 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.591 0.757 . . . . 61.41 111.242 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.552 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -115.57 136.91 52.6 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.866 -0.791 . . . . 73.54 108.866 171.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -117.14 85.41 2.32 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.319 1.047 . . . . 75.14 108.195 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.552 ' HB2' HE22 ' B' ' 141' ' ' GLN . 0.9 OUTLIER -74.36 110.08 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.734 -0.839 . . . . 70.34 108.734 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' B' ' 168' ' ' ILE . 20.4 t70 -99.14 138.78 35.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.285 0.564 . . . . 64.31 110.086 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.402 ' HE1' ' OG ' ' B' ' 165' ' ' SER . 45.3 t80 -133.84 106.38 7.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.727 1.211 . . . . 63.15 108.83 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.49 27.72 16.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.055 0.942 . . . . 71.42 112.479 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.68 3.47 64.4 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 116.389 -0.369 . . . . 72.14 113.133 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -127.71 117.75 22.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.827 0.851 . . . . 75.11 110.215 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 69.2 mt-30 -68.61 150.7 47.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.37 0.668 . . . . 73.52 111.147 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.608 HD11 HD23 ' B' ' 167' ' ' LEU . 88.7 mt -93.92 112.33 24.16 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.138 0.975 . . . . 75.11 111.25 -170.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 38.6 mt-10 -65.93 125.62 25.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.652 0.781 . . . . 75.32 109.393 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.58 -31.26 64.06 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.169 0.988 . . . . 55.23 112.442 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -96.18 21.43 45.34 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.303 -0.408 . . . . 74.34 113.847 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.4 OUTLIER -111.35 158.71 18.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.81 0.844 . . . . 75.54 109.381 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 14.5 p -94.62 159.76 14.93 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.751 0.705 . . . . 74.11 111.304 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.21 -38.66 92.03 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 124.071 0.857 . . . . 65.24 109.264 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' B' ' 119' ' ' PRO . 12.9 t -65.7 -31.37 72.34 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.244 0.617 . . . . 64.34 111.822 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.0 -30.47 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.393 0.677 . . . . 74.45 110.965 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.93 -9.2 26.63 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.19 0.596 . . . . 74.32 110.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.4 t30 54.5 57.73 5.53 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.979 1.312 . . . . 71.51 110.359 -173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.11 116.67 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 114.238 -1.346 . . . . 70.31 110.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' B' ' 165' ' ' SER . 9.5 pt20 -85.29 155.15 21.48 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.373 0.606 . . . . 73.43 110.816 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 14.2 ptmm? -63.58 133.02 53.02 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.163 -0.926 . . . . 74.54 109.625 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 67.14 22.64 9.77 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.231 -1.349 . . . . 55.41 112.051 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' B' ' 162' ' ' GLN . 10.9 t -64.94 142.9 58.28 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 121.071 -0.252 . . . . 55.11 110.628 170.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.6 126.18 45.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.019 -0.734 . . . . 72.23 109.019 174.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.608 HD23 HD11 ' B' ' 150' ' ' LEU . 3.5 mp -122.7 124.37 43.25 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.516 -1.291 . . . . 60.31 107.516 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.4 tt -93.64 100.65 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 122.459 1.123 . . . . 70.41 110.324 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 141' ' ' GLN . 52.4 tp -77.31 106.87 9.32 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.995 -1.457 . . . . 64.34 109.863 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.36 162.73 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.421 -1.263 . . . . 75.11 109.028 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.603 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . 4.2 mp -87.81 176.83 7.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.36 -0.978 . . . . 53.41 108.36 170.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 CA--C 1.559 1.311 0 C-N-CA 124.963 1.305 . . . . 62.41 113.024 175.706 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.548 0.213 . . . . 70.43 110.735 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -82.57 -47.8 11.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 122.86 0.464 . . . . 73.35 111.345 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 19.1 pt20 -57.07 -46.39 82.53 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 123.715 0.634 . . . . 62.12 111.716 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 16.0 ptpt -60.02 -44.38 94.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.764 0.665 . . . . 64.32 110.826 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.273 0.629 . . . . 64.45 111.238 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.17 -40.5 85.79 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.771 0.669 . . . . 74.41 109.83 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 24.8 mm-40 -69.51 -44.15 71.63 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.083 -0.962 . . . . 64.41 111.678 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 45.0 mt -69.35 -34.58 74.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.662 0.385 . . . . 61.33 110.742 -177.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.62 -37.01 68.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.848 -0.797 . . . . 61.15 108.848 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . 0.475 HD11 HE22 ' A' ' 49' ' ' GLN . 0.5 OUTLIER -67.21 -38.5 85.41 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 109.695 -0.483 . . . . 73.53 109.695 175.317 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.422 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 17.6 m-30 -63.98 -39.89 95.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.794 0.838 . . . . 72.11 108.847 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.44 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 17.1 t-105 -66.94 -36.73 82.9 Favored 'General case' 0 C--O 1.195 -1.808 0 CA-C-N 114.456 -1.247 . . . . 62.32 110.503 173.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -62.32 -37.45 85.66 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.768 0.713 . . . . 55.32 110.623 176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.587 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.4 m-85 -65.65 -60.76 2.58 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.865 -0.607 . . . . 61.21 109.964 177.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.08 -36.18 76.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 124.252 0.97 . . . . 64.3 111.042 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' C' ' 755' ' ' TRP . 7.7 tt0 -67.21 -53.86 26.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.583 0.753 . . . . 74.14 109.68 -177.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.41 65.71 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.243 0.617 . . . . 62.22 111.283 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.468 ' HE2' HD22 ' C' ' 765' ' ' LEU . 27.0 ttt -70.38 -44.65 67.63 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.148 -0.933 . . . . 65.34 109.931 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.798 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 78.8 mt -74.68 -19.42 60.27 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.343 1.057 . . . . 72.44 111.665 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 63.2 m -70.95 -25.06 62.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.196 0.998 . . . . 73.13 111.101 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -109.0 -56.59 2.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.397 -0.964 . . . . 72.41 108.397 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' C' ' 761' ' ' MET . 8.4 mp -80.31 78.92 6.96 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.339 1.456 . . . . 64.54 108.222 172.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.99 43.31 0.43 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 112.121 0.415 . . . . 63.33 112.121 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 14.8 p 173.33 118.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.982 1.713 . . . . 63.21 109.649 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.51 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 2.6 pp -164.82 161.54 20.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.27 0.628 . . . . 70.5 111.354 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 13.3 t -86.89 155.01 20.41 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 122.961 0.504 . . . . 71.43 109.779 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.22 -30.61 60.32 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 124.273 1.029 . . . . 74.34 110.197 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.3 -59.74 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.498 1.119 . . . . 75.13 112.402 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.51 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 99.6 mtt180 -52.25 -52.5 52.16 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.983 0.913 . . . . 65.12 111.746 -174.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -74.04 -29.9 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.718 -1.128 . . . . 71.22 111.544 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -68.17 -41.32 81.68 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 109.423 -0.584 . . . . 73.54 109.423 173.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.03 -49.65 73.75 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.816 0.698 . . . . 73.11 110.251 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . 0.44 ' HG2' ' HA ' ' C' ' 773' ' ' ILE . 19.1 ptp -65.99 -46.43 78.06 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 115.908 -0.587 . . . . 73.4 110.613 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.605 HD23 HD21 ' C' ' 795' ' ' LEU . 6.9 mp -59.44 -37.04 77.11 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 118.052 0.387 . . . . 72.35 111.586 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.3 tpt180 -68.14 -37.1 80.69 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.595 -0.729 . . . . 73.03 110.356 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 66' ' ' ALA . 61.6 ttp -61.99 -51.29 68.65 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.739 -0.664 . . . . 65.43 110.754 174.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . 0.494 ' HZ ' HG21 ' A' ' 68' ' ' ILE . 37.8 m-85 -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.978 0.511 . . . . 54.53 111.281 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.529 HG11 HG12 ' C' ' 790' ' ' ILE . 2.7 p -75.19 -36.65 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.173 -0.467 . . . . 65.35 111.113 -177.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.9 p -74.54 -33.91 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.131 0.423 . . . . 63.12 111.454 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.7 p -69.53 -21.87 63.62 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 54.54 112.522 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.35 -175.51 14.01 Favored Glycine 0 N--CA 1.469 0.846 0 CA-C-O 119.796 -0.447 . . . . 74.33 113.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.49 -22.69 12.09 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.941 2.427 . . . . 63.3 112.183 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' C' ' 750' ' ' GLU . . . 25.93 -88.94 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.792 2.437 . . . . 72.44 115.915 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.17 30.03 0.87 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.73 0.812 . . . . 70.53 109.705 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 61.84 48.51 5.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.659 1.183 . . . . 62.13 112.654 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 72.81 119.04 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.416 1.487 . . . . 54.42 112.517 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.529 HG12 HG11 ' C' ' 781' ' ' VAL . 26.8 pt -65.13 174.36 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.318 1.047 . . . . 72.44 111.186 173.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.95 160.12 42.28 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.077 -0.712 . . . . 62.04 109.077 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.09 -48.84 78.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.206 0.602 . . . . 61.43 112.492 -174.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.17 69.69 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.807 0.731 . . . . 73.44 111.561 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.77 -34.47 52.31 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.105 0.479 . . . . 72.01 110.442 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.605 HD21 HD23 ' C' ' 777' ' ' LEU . 0.4 OUTLIER -83.84 -53.04 5.88 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.719 0.808 . . . . 61.31 109.371 -173.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -49.73 -41.18 43.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.315 0.646 . . . . 74.31 109.608 164.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -52.55 -44.98 59.83 Favored Glycine 0 C--N 1.356 1.678 0 O-C-N 124.163 0.914 . . . . 52.45 114.008 170.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 15.9 t80 -61.03 -50.8 71.89 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.429 0.691 . . . . 72.43 110.924 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' C' ' 773' ' ' ILE . 3.9 mm? -61.47 -50.84 71.16 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.059 -0.519 . . . . 71.53 111.703 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.68 -31.77 73.14 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.049 0.843 . . . . 63.53 109.759 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.1 OUTLIER -61.5 -56.49 19.51 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 107.843 -1.169 . . . . 74.54 107.843 173.603 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 75.6 mmtt -53.67 -40.23 65.76 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 124.312 1.008 . . . . 51.44 112.604 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.1 -45.66 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.828 0.451 . . . . 71.34 110.681 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -78.05 -10.0 59.4 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.919 0.488 . . . . 72.32 111.725 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -92.48 -4.65 53.3 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.77 1.228 . . . . 65.45 111.547 170.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.26 14.44 9.72 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.297 1.439 . . . . 63.21 112.355 -176.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -85.58 -11.41 54.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.233 1.013 . . . . 65.1 110.998 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.6 OUTLIER -149.16 150.2 32.27 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.369 0.668 . . . . 55.32 109.37 -176.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' C' ' 818' ' ' PRO . 68.7 t -105.3 143.9 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.347 1.059 . . . . 71.43 110.403 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -121.66 115.84 23.48 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.505 1.122 . . . . 63.55 108.136 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -91.06 -144.66 0.18 Allowed 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.181 -1.044 . . . . 75.12 108.181 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.28 77.64 1.33 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.459 0.572 . . . . 44.14 110.262 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.7 79.76 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.391 -0.822 . . . . 65.11 113.555 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 32.3 m -133.42 150.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.095 0.558 . . . . 75.1 110.513 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -100.98 147.27 26.37 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.206 0.602 . . . . 64.11 110.974 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' C' ' 762' ' ' LEU . 11.1 ptt180 -159.74 146.09 16.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.0 -1.0 . . . . 54.25 109.431 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.798 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 1.9 tp -80.31 138.64 52.06 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 117.96 0.345 . . . . 70.25 110.202 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . 0.402 ' HD3' HG23 ' C' ' 809' ' ' VAL . 38.2 Cg_endo . . . . . 0 C--N 1.366 1.479 0 C-N-CA 121.919 1.746 . . . . 73.2 110.878 170.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.53 -0.628 . . . . 54.15 111.53 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.79 147.28 22.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.496 0.718 . . . . 74.15 109.326 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.526 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -93.93 155.89 16.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.11 0.564 . . . . 63.13 109.551 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -126.34 152.4 33.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 108.418 -0.956 . . . . 72.13 108.418 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -106.6 114.12 28.04 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.934 -1.506 . . . . 75.43 106.934 166.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 p -105.44 110.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 122.126 0.965 . . . . 71.41 108.535 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.471 ' HB2' HG22 ' B' ' 168' ' ' ILE . 12.4 m-20 -91.0 104.33 16.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 75.25 110.699 -166.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.0 p -89.52 108.58 19.74 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.279 -1.008 . . . . 74.34 108.279 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.49 136.87 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.715 0.806 . . . . 73.0 110.068 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.23 118.65 21.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.203 1.001 . . . . 74.22 109.148 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -109.97 116.5 31.71 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.136 -1.061 . . . . 75.34 108.136 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.7 129.34 14.08 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.087 0.47 . . . . 63.15 111.25 -171.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 8.6 m -88.64 115.99 26.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.508 -0.769 . . . . 72.25 110.098 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 12.9 mt -93.26 157.58 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 108.709 -0.849 . . . . 52.41 108.709 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -120.64 121.82 39.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.089 -1.078 . . . . 75.51 108.089 174.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 105' ' ' VAL . 1.2 pt? -137.66 163.88 30.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.231 0.612 . . . . 74.43 110.068 -177.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -107.81 137.08 46.46 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.483 0.713 . . . . 75.2 109.404 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.1 163.05 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.379 -1.282 . . . . 75.45 108.352 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -115.63 148.54 41.29 Favored Pre-proline 0 N--CA 1.488 1.462 0 CA-C-N 118.389 0.54 . . . . 50.14 109.937 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.0 Cg_endo -65.3 -26.47 56.26 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.744 2.296 . . . . 72.42 112.672 -175.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p -83.18 -16.29 47.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.507 0.723 . . . . 70.11 111.856 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.07 159.6 34.41 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 109.673 -0.492 . . . . 74.0 109.673 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -89.17 160.01 17.19 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.834 0.709 . . . . 65.0 110.548 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.57 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 31.6 mm -69.76 -25.29 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 114.336 -1.302 . . . . 75.14 110.089 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 27' ' ' LYS . 12.7 pt-20 -60.49 -23.27 64.37 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 124.171 0.988 . . . . 72.41 111.551 -176.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.8 -54.65 31.81 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.139 0.899 . . . . 62.44 109.598 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -47.24 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.003 -0.999 . . . . 54.02 109.733 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -58.42 -45.09 89.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.555 1.542 . . . . 64.41 111.393 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.24 73.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.118 -0.492 . . . . 64.52 110.932 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 53.6 mtmt -64.72 -51.15 63.93 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 123.686 0.616 . . . . 64.35 111.047 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.558 ' HB ' HD11 ' A' ' 36' ' ' ILE . 13.9 pt -67.94 -30.14 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 117.686 0.221 . . . . 75.51 110.925 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.659 HE21 ' HA ' ' A' ' 37' ' ' PRO . 35.1 tt0 -64.7 -45.97 84.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 110.382 -0.229 . . . . 64.4 110.382 169.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.59 -45.63 86.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.56 0.744 . . . . 72.32 110.877 -174.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 66.3 mmtt -84.44 -51.22 7.1 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.298 -0.865 . . . . 54.12 110.999 -172.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.78 -4.31 23.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.172 0.589 . . . . 64.1 112.268 -167.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.52 29.54 65.7 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.45 0.468 . . . . 34.12 114.151 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.558 HD11 ' HB ' ' A' ' 30' ' ' ILE . 23.7 pt -102.58 102.34 25.51 Favored Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 123.474 0.709 . . . . 72.42 111.101 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.659 ' HA ' HE21 ' A' ' 31' ' ' GLN . 22.5 Cg_exo -66.38 146.12 79.51 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.717 2.278 . . . . 75.31 111.753 176.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -45.86 -39.73 19.3 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 124.771 3.648 . . . . 64.14 114.394 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.63 -39.17 91.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.631 0.772 . . . . 63.11 112.254 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -83.16 -23.65 32.84 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.401 0.62 . . . . 74.15 111.594 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.56 129.24 36.17 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.858 1.663 . . . . 73.34 109.526 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -132.38 70.79 1.46 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.814 0.846 . . . . 61.42 109.229 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.25 127.26 33.49 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.121 0.486 . . . . 41.2 110.027 177.134 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.629 HG12 ' HG3' ' A' ' 49' ' ' GLN . 22.8 mt -125.28 139.13 52.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 C-N-CA 123.583 0.753 . . . . 72.21 109.524 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -127.5 94.54 4.0 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.682 1.193 . . . . 62.31 109.039 -173.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.42 36.69 27.62 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.751 0.821 . . . . 74.43 111.201 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 -1.2 62.26 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 115.252 -0.885 . . . . 33.45 114.734 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -105.67 114.18 28.19 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.412 0.685 . . . . 64.02 110.763 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.633 ' NE2' HD21 ' C' ' 753' ' ' LEU . 24.7 mp0 -84.03 113.48 21.05 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.255 -1.017 . . . . 54.22 108.255 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 43' ' ' LEU . 22.1 mt -77.12 113.7 15.13 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.385 -0.37 . . . . 73.02 111.296 -167.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 3.0 tm-20 -80.18 129.73 34.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 105.652 -1.981 . . . . 73.43 105.652 173.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.57 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p-10 -65.73 -26.77 67.89 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.439 0.533 . . . . 42.32 112.439 -165.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.67 11.01 62.86 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 119.694 -0.503 . . . . 40.24 113.601 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.531 ' HG2' ' HB3' ' A' ' 51' ' ' GLU . 20.7 mmt85 -93.96 174.76 7.0 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.041 -0.726 . . . . 73.34 109.041 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 p -101.18 169.66 8.77 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.105 -0.702 . . . . 74.13 109.105 172.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.1 mm? -69.26 -36.46 77.15 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 109.093 -0.706 . . . . 74.43 109.093 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 14.8 t -68.1 -26.95 66.07 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.924 0.889 . . . . 75.43 110.986 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.89 -28.63 51.96 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.949 0.9 . . . . 63.05 111.516 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.488 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.1 m-85 -110.04 2.9 19.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.334 0.654 . . . . 73.44 112.718 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.66 32.78 13.62 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.788 0.804 . . . . 72.21 110.475 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 56' ' ' LEU . 96.2 mt -64.65 116.28 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.96 0.904 . . . . 65.43 109.515 177.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -123.26 -177.6 3.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.631 1.173 . . . . 64.4 109.659 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -70.31 141.93 52.29 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 120.889 0.376 . . . . 65.42 111.838 -172.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.8 31.47 21.26 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.402 1.689 . . . . 74.25 112.361 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -83.76 138.89 33.05 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.406 -0.815 . . . . 73.35 109.444 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 107.87 19.85 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.399 0.679 . . . . 65.24 111.576 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.6 tt -95.46 135.12 37.5 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.989 -1.486 . . . . 73.55 106.989 174.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.485 HD12 ' HE3' ' C' ' 776' ' ' MET . 2.6 tt -114.77 125.59 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 108.739 -0.837 . . . . 73.31 108.739 170.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HB3' ' HA ' ' B' ' 107' ' ' THR . 37.8 tp -87.62 127.77 35.27 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.133 -0.691 . . . . 74.0 109.133 172.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 757' ' ' TYR . 4.0 mp -115.41 158.05 23.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.28 -1.378 . . . . 74.33 107.28 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.49 170.14 8.79 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 109.568 -0.53 . . . . 52.42 109.568 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.9 m -32.97 107.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.618 1.567 . . . . 71.01 113.38 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' C' ' 763' ' ' THR . 0.5 OUTLIER -72.88 -32.84 65.66 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.812 -0.631 . . . . 74.15 111.564 177.038 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG2' HD13 ' A' ' 73' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 123.433 0.693 . . . . 75.04 109.761 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.129 -0.389 . . . . 74.4 112.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -99.74 147.62 25.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.257 0.551 . . . . 74.34 109.913 175.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 152.7 22.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 70.05 109.581 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.91 157.68 20.56 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 123.248 0.619 . . . . 63.04 109.586 168.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 26.8 m-85 -111.8 110.51 20.9 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.199 -1.037 . . . . 75.03 108.199 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 15' ' ' LEU . 29.7 m -103.4 107.17 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-O 121.727 0.775 . . . . 74.3 110.297 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 32.5 t0 -81.99 98.31 8.53 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.618 -0.882 . . . . 55.41 108.618 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.587 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 9.5 t -97.33 137.01 36.98 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 115.795 -0.639 . . . . 73.32 112.439 -168.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.541 HG12 HD21 ' C' ' 765' ' ' LEU . 27.5 m -95.4 130.9 43.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.612 -1.176 . . . . 73.13 109.738 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -128.89 98.32 4.92 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.052 -0.721 . . . . 74.02 109.052 171.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -102.7 127.52 49.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.91 1.284 . . . . 74.32 108.814 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.39 109.99 6.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.499 0.72 . . . . 70.25 109.804 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 60.5 m -81.28 109.97 16.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.495 0.718 . . . . 73.21 109.9 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mm -95.99 169.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 108.242 -1.021 . . . . 73.2 108.242 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 35.5 m -132.32 138.12 47.68 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.559 -0.713 . . . . 73.23 110.553 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.51 167.38 22.29 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.093 0.957 . . . . 71.13 109.062 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 1.4 tm-20 -125.02 132.13 53.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.144 -1.428 . . . . 74.14 107.144 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.35 164.09 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 117.865 0.302 . . . . 55.53 111.314 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -104.31 151.42 39.09 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.364 -0.606 . . . . 72.21 109.364 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.41 -34.37 34.71 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.447 2.098 . . . . 72.15 112.096 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -75.74 -15.75 60.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 122.829 0.452 . . . . 70.43 111.802 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.67 148.06 50.96 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.983 -0.377 . . . . 73.32 109.983 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 7.7 p -77.9 161.95 27.2 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.791 0.682 . . . . 64.13 110.035 169.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.56 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 46.5 mm -64.94 -27.76 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.262 -0.881 . . . . 71.33 109.447 172.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -43.35 -45.34 6.0 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.505 1.522 . . . . 74.45 111.721 170.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 55.1 m-80 -55.87 -54.35 45.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.702 0.626 . . . . 74.33 110.737 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.18 -52.01 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.087 0.955 . . . . 73.4 111.216 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.12 73.54 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.066 -0.515 . . . . 54.44 111.808 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.99 60.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.585 0.354 . . . . 72.13 111.407 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 9.2 mmpt? -74.57 -49.06 23.27 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.998 -0.371 . . . . 75.41 109.998 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.544 ' HB ' HD12 ' B' ' 136' ' ' ILE . 16.4 pt -67.86 -27.1 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 121.905 0.082 . . . . 64.53 111.103 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.52 -41.64 68.97 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.356 0.662 . . . . 75.0 111.256 170.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.91 -50.02 75.39 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.448 0.642 . . . . 53.55 110.002 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -75.94 -70.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.441 -1.254 . . . . 74.43 111.034 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.39 -10.59 27.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.139 0.576 . . . . 73.02 112.271 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.96 31.96 54.29 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 120.053 -0.304 . . . . 75.2 113.298 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.544 HD12 ' HB ' ' B' ' 130' ' ' ILE . 52.5 mt -75.59 111.18 13.04 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.222 0.609 . . . . 74.43 110.033 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' B' ' 141' ' ' GLN . 10.8 Cg_exo -71.9 123.21 9.14 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.411 2.741 . . . . 73.34 111.937 -174.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.29 -28.85 73.84 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 123.891 3.061 . . . . 64.44 112.593 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.015 -1.448 . . . . 75.04 110.838 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.454 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 24.7 mt-30 -109.25 20.71 17.99 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.989 0.915 . . . . 71.0 111.306 -172.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 137' ' ' PRO . 24.9 tt0 -102.38 100.02 10.13 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.911 0.884 . . . . 60.02 109.698 -171.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -87.74 94.03 9.62 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.342 -0.984 . . . . 72.41 108.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 150' ' ' LEU . 4.1 mp -77.47 143.88 38.18 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.351 -0.981 . . . . 74.53 108.351 174.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.06 119.61 11.7 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.987 -1.116 . . . . 65.12 107.987 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.597 ' HB2' HD21 ' B' ' 150' ' ' LEU . 28.1 t80 -133.35 100.42 4.83 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 107.991 -1.114 . . . . 65.41 107.991 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.45 32.77 6.87 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.036 0.835 . . . . 71.44 110.995 -171.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.29 2.58 65.8 Favored Glycine 0 C--N 1.358 1.775 0 N-CA-C 115.016 0.766 . . . . 73.2 115.016 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -111.12 127.84 55.7 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 117.826 0.813 . . . . 72.2 110.145 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.96 137.52 38.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 170.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -91.21 103.09 15.81 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.439 -0.948 . . . . 73.44 108.439 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.44 131.95 47.71 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 109.169 -0.678 . . . . 53.22 109.169 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.7 p-10 -62.0 -28.83 69.85 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.361 1.064 . . . . 71.21 113.03 -169.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.31 3.42 81.54 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 119.718 -0.49 . . . . 51.01 114.076 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.72 176.59 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.018 0.927 . . . . 74.3 108.842 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 3.5 p -112.51 169.4 8.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.24 0.616 . . . . 73.24 110.426 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -38.95 88.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.865 -1.061 . . . . 71.01 109.147 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.2 t -62.93 -38.45 91.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.597 0.759 . . . . 61.11 110.391 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.93 -23.88 55.43 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.887 0.875 . . . . 75.02 111.688 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -111.13 0.64 16.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.56 0.744 . . . . 73.13 112.579 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.48 55.91 8.02 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 122.298 1.047 . . . . 64.04 110.125 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.4 mm -69.35 117.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 114.616 -1.174 . . . . 64.11 109.974 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . 0.509 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -87.43 150.55 23.71 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 123.393 0.677 . . . . 74.33 110.026 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.97 144.86 32.26 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.872 -0.788 . . . . 64.21 108.872 170.087 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.258 0.2 OUTLIER 54.8 24.08 5.41 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.665 1.586 . . . . 65.44 113.417 -177.315 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 64.7 p -60.64 138.11 58.1 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 119.668 -0.206 . . . . 75.45 111.28 168.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.97 34.48 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.413 -0.588 . . . . 72.11 109.413 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 109.09 7.92 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.254 -1.017 . . . . 42.41 108.254 -171.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 6' ' ' ASP . 3.5 pt -98.84 141.4 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 CA-C-N 118.816 0.735 . . . . 72.25 111.019 -170.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 91.7 mt -106.43 113.48 27.02 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.999 1.32 . . . . 65.12 109.283 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.85 159.58 16.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.336 1.054 . . . . 73.03 109.391 170.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.19 154.44 39.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.646 -0.501 . . . . 52.44 109.646 168.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.454 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.4 t . . . . . 0 N--CA 1.49 1.558 0 C-N-CA 125.247 1.419 . . . . 70.23 113.204 -175.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . 0.437 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . . . . . . 0 C--O 1.245 0.864 0 N-CA-C 112.142 0.423 . . . . 73.21 112.142 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -52.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 124.75 1.281 . . . . 43.22 111.108 -170.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 0.4 OUTLIER -45.92 -51.94 12.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.382 1.473 . . . . 73.45 113.589 -176.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 38.9 mtmt -60.19 -56.4 22.07 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.65 0.738 . . . . 44.22 111.101 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -48.06 -42.96 29.94 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 113.754 -1.566 . . . . 60.14 111.751 172.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' C' ' 753' ' ' LEU . 42.9 mt-10 -70.96 -29.6 65.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.379 -0.828 . . . . 73.54 110.858 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 14.6 mm-40 -65.98 -43.91 86.41 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.944 -0.762 . . . . 75.03 108.944 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.7 -47.6 84.0 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.298 0.999 . . . . 74.44 110.365 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.42 -29.93 69.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.677 -1.147 . . . . 61.43 109.797 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . 0.633 HD21 ' NE2' ' A' ' 49' ' ' GLN . 1.3 tm? -75.75 -33.39 60.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.029 0.932 . . . . 75.02 110.092 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -70.3 -31.73 69.18 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.198 -0.668 . . . . 73.03 109.198 172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.405 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 26.0 t-105 -74.72 -31.87 61.98 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.16 -0.473 . . . . 73.04 110.792 172.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 37.7 m -67.36 -32.71 73.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.887 -0.782 . . . . 70.25 108.887 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.445 ' HA ' HD21 ' A' ' 70' ' ' LEU . 10.3 m-85 -62.49 -67.95 0.37 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 115.707 -0.679 . . . . 75.53 109.636 170.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.47 -30.91 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 O-C-N 123.563 0.539 . . . . 64.14 111.981 -166.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' C' ' 817' ' ' LEU . 7.3 tt0 -76.25 -54.88 6.15 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.134 -0.354 . . . . 70.32 110.833 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -70.43 -19.09 63.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.95 0.5 . . . . 55.32 111.876 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.677 ' HB2' HD12 ' C' ' 765' ' ' LEU . 26.6 ptm -85.19 -53.02 5.52 Favored 'General case' 0 CA--C 1.556 1.175 0 CA-C-O 118.796 -0.621 . . . . 71.31 110.036 170.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.491 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 24.2 mt -67.83 -17.13 64.41 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 118.966 0.803 . . . . 74.43 112.779 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.2 t -64.45 -18.49 64.8 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.555 0.693 . . . . 65.32 110.315 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.09 -44.74 3.9 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.179 0.992 . . . . 64.25 109.949 171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' C' ' 761' ' ' MET . 33.5 mt -97.03 25.99 5.0 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.438 1.095 . . . . 64.03 112.461 -164.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.423 ' HA ' HD22 ' C' ' 762' ' ' LEU . 5.7 pt-20 -64.24 76.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.655 0.983 . . . . 62.55 113.655 -170.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 26.3 m -174.52 20.21 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.328 1.451 . . . . 60.52 110.511 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.547 HD23 HH11 ' C' ' 772' ' ' ARG . 98.5 mt -104.41 118.98 37.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.946 -0.471 . . . . 72.24 110.759 -166.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . 0.6 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 23.0 t -66.28 162.53 19.93 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.593 0.757 . . . . 60.22 111.325 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' C' ' 815' ' ' TYR . 0.2 OUTLIER -54.5 -43.89 72.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 114.334 -1.303 . . . . 73.43 110.292 178.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.24 -44.33 75.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.801 0.84 . . . . 72.04 111.994 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.547 HH11 HD23 ' C' ' 768' ' ' LEU . 76.3 mtt180 -64.87 -59.75 3.84 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.175 -0.92 . . . . 71.04 109.959 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.436 HD11 HD11 ' C' ' 799' ' ' LEU . 2.6 pp -66.58 -20.44 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.357 -1.292 . . . . 64.23 110.858 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.85 -57.94 7.53 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.487 0.715 . . . . 73.11 109.538 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -56.43 -38.56 71.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.824 0.702 . . . . 71.24 111.223 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . 0.485 ' HE3' HD12 ' A' ' 68' ' ' ILE . 68.7 mtp -62.98 -59.1 5.29 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.473 -0.785 . . . . 65.4 111.724 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.491 HD22 HD13 ' C' ' 795' ' ' LEU . 7.3 mp -60.61 -32.1 71.24 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.242 0.617 . . . . 74.42 112.157 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -58.65 -53.43 58.4 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 123.988 0.805 . . . . 63.13 109.697 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' C' ' 780' ' ' PHE . 1.3 tmt? -50.2 -56.57 10.51 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.825 0.703 . . . . 73.31 110.37 173.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . 0.452 ' CD1' ' SD ' ' C' ' 779' ' ' MET . 16.7 m-85 -58.99 -33.39 70.64 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 113.376 0.88 . . . . 75.44 113.376 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.463 HG21 ' H ' ' C' ' 790' ' ' ILE . 3.6 p -88.94 -29.88 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 112.145 0.424 . . . . 73.42 112.145 -175.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.98 -26.8 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 122.583 0.353 . . . . 71.41 111.154 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 20.3 p -65.23 -24.81 67.44 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.43 0.456 . . . . 75.11 111.145 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -116.12 170.46 13.35 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 123.918 0.761 . . . . 63.01 111.889 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -82.81 4.68 6.92 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.802 2.335 . . . . 64.0 111.878 169.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.43 112.87 0.65 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.963 1.705 . . . . 70.21 112.075 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 13.6 mt 66.34 9.02 6.09 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.792 1.237 . . . . 71.42 112.237 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 54.87 38.97 31.23 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.442 1.097 . . . . 40.42 111.446 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 73.74 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.175 1.79 . . . . 74.43 111.483 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.463 ' H ' HG21 ' C' ' 781' ' ' VAL . 44.6 pt -74.23 156.71 6.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 123.34 0.656 . . . . 71.11 110.631 172.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.96 173.01 6.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.613 1.165 . . . . 72.01 108.943 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.55 -49.82 66.84 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.951 1.3 . . . . 63.42 111.631 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.47 68.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.561 0.344 . . . . 63.43 111.281 -178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.11 -51.73 43.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.154 0.582 . . . . 74.51 110.127 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.491 HD13 HD22 ' C' ' 777' ' ' LEU . 16.8 tp -68.2 -53.23 26.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.406 -0.815 . . . . 71.4 111.198 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.36 -40.86 87.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.543 0.737 . . . . 74.53 110.619 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.62 96.04 Favored Glycine 0 C--N 1.351 1.395 0 O-C-N 123.913 0.758 . . . . 62.33 113.364 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.405 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 31.2 t80 -64.81 -43.89 91.66 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.469 0.708 . . . . 75.05 110.289 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.436 HD11 HD11 ' C' ' 773' ' ' ILE . 52.6 mt -69.88 -42.27 73.66 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.709 1.204 . . . . 52.42 111.384 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.24 -47.82 83.94 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.419 1.088 . . . . 74.22 109.495 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -51.05 71.02 Favored 'General case' 0 C--O 1.211 -0.936 0 O-C-N 124.68 1.238 . . . . 71.13 110.355 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' C' ' 808' ' ' LEU . 0.0 OUTLIER -56.78 -41.57 77.91 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.907 1.283 . . . . 54.44 113.551 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.7 t -70.63 -41.42 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.664 0.786 . . . . 50.24 110.393 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.45 -10.4 59.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.309 0.644 . . . . 62.34 111.483 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.58 -4.37 59.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.202 1.001 . . . . 71.33 108.985 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 70.54 12.03 7.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.755 1.622 . . . . 73.42 112.603 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.6 8.97 23.02 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.326 0.651 . . . . 74.43 111.389 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 1.2 tt -145.85 143.3 29.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.725 -1.583 . . . . 73.52 106.725 169.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 39.8 t -112.62 124.82 69.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 123.495 0.718 . . . . 65.35 109.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -93.39 107.12 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.83 -1.174 . . . . 73.25 107.83 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.42 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.6 t -79.4 -153.32 0.07 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 108.208 -1.034 . . . . 70.12 108.208 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -67.94 77.63 0.22 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.719 0.69 . . . . 70.42 110.417 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.46 13.14 77.45 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.066 -0.97 . . . . 54.25 114.361 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' C' ' 769' ' ' SER . 11.4 m -124.47 147.7 28.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 117.855 0.827 . . . . 64.0 110.183 175.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . 0.412 ' HE2' ' HB2' ' C' ' 770' ' ' LEU . 92.0 m-85 -94.86 134.39 37.55 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.291 0.636 . . . . 70.12 110.226 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.412 ' HB2' ' HB2' ' C' ' 766' ' ' GLU . 5.1 ppt_? -154.66 142.75 20.26 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.772 -1.104 . . . . 72.44 108.616 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.491 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 73.0 mt -85.52 142.26 37.29 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 112.025 0.38 . . . . 54.22 112.025 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--N 1.378 2.12 0 C-N-CA 122.877 2.385 . . . . 71.42 111.866 172.251 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.857 -0.497 . . . . 64.42 111.857 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.62 149.2 31.1 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.169 0.588 . . . . 72.12 110.303 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -97.6 149.84 21.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.837 -0.801 . . . . 73.21 108.837 -173.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' B' ' 165' ' ' SER . 25.4 pt -137.93 153.53 27.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 CA-C-O 121.265 0.555 . . . . 71.12 110.521 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.496 ' HB3' HG23 ' B' ' 112' ' ' THR . 22.6 m-85 -106.64 108.15 19.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.152 -1.385 . . . . 74.13 108.167 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.638 HG11 HG21 ' B' ' 130' ' ' ILE . 35.1 t -96.77 97.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.45 -0.944 . . . . 63.0 108.45 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.03 109.21 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.327 -0.62 . . . . 43.51 109.327 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 7.7 t -90.05 142.72 27.44 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.745 -0.661 . . . . 41.33 109.439 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.58 120.0 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 122.081 0.943 . . . . 63.44 108.967 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -101.76 84.75 2.6 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.888 -1.051 . . . . 52.11 108.713 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.52 ' HB2' HD11 ' C' ' 765' ' ' LEU . 8.5 t-105 -100.72 103.14 14.38 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 105.762 -1.94 . . . . 73.32 105.762 168.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -152.7 131.78 12.65 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.483 0.549 . . . . 72.4 112.483 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.514 HG22 ' HB3' ' B' ' 104' ' ' PHE . 5.2 m -92.8 107.27 19.09 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.394 -1.275 . . . . 75.1 109.11 176.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 mt -94.42 170.45 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.754 1.222 . . . . 72.24 109.244 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.9 m -125.65 133.88 52.05 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.391 0.676 . . . . 71.1 110.257 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -136.65 169.32 17.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.665 1.186 . . . . 70.13 108.528 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' B' ' 102' ' ' GLN . 31.0 mt-10 -120.2 145.61 46.82 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.569 0.748 . . . . 52.54 110.49 173.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -154.36 167.51 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 CA-C-N 114.741 -1.118 . . . . 74.04 110.622 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 40.1 mm-40 -100.59 148.32 34.82 Favored Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 123.544 0.738 . . . . 74.24 110.593 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 54.0 Cg_endo -67.38 -32.82 31.6 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.995 2.463 . . . . 32.1 112.433 -178.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -90.87 -3.29 57.47 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.222 -0.899 . . . . 72.52 111.813 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.67 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -77.97 170.72 16.12 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.847 0.459 . . . . 73.55 109.995 -178.299 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -89.3 163.72 15.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.741 0.781 . . . . 71.11 112.432 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 HD12 ' A' ' 50' ' ' LEU . 48.0 mm -78.87 -32.31 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 114.407 -1.27 . . . . 65.11 110.51 176.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -62.01 -30.12 70.74 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.378 0.671 . . . . 52.52 110.979 176.371 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.7 t30 -56.96 -59.18 5.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.969 -1.014 . . . . 75.51 109.896 170.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD11 ' A' ' 56' ' ' LEU . 44.2 t -58.94 -40.85 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.366 1.066 . . . . 54.32 110.828 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HD3' ' HG3' ' A' ' 38' ' ' PRO . 3.7 tmmm? -57.36 -49.25 76.77 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.079 1.351 . . . . 62.55 110.633 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.13 70.27 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.836 -0.62 . . . . 64.31 111.102 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.7 mmtp -65.85 -44.95 83.92 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.113 0.565 . . . . 74.44 111.189 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HB ' HD12 ' A' ' 36' ' ' ILE . 19.9 pt -73.27 -30.15 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 110.475 -0.194 . . . . 70.21 110.475 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -71.48 -27.35 63.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.05 0.54 . . . . 54.2 110.627 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.55 -51.31 10.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.873 0.869 . . . . 73.44 110.611 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -89.69 -46.91 8.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.422 -0.808 . . . . 63.02 111.633 -170.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.41 -22.62 17.04 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 122.875 0.47 . . . . 74.44 110.996 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 23.47 61.05 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.16 0.288 . . . . 52.44 113.694 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.496 HG21 HD22 ' A' ' 69' ' ' LEU . 83.0 mt -73.26 115.05 37.09 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 123.671 0.788 . . . . 75.11 110.756 -176.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.9 Cg_endo -83.74 108.29 1.43 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.635 2.89 . . . . 71.12 111.388 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HG3' ' HD3' ' A' ' 27' ' ' LYS . 54.9 Cg_endo -62.51 -30.76 80.11 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 123.417 2.745 . . . . 51.52 113.209 -172.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -39.61 78.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.789 1.236 . . . . 71.03 111.412 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -108.58 1.85 21.68 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.569 -0.741 . . . . 71.32 111.143 -178.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -124.27 98.94 5.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.571 -0.9 . . . . 71.52 108.571 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -78.34 107.28 10.84 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 109.32 -0.622 . . . . 71.23 109.32 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.5 mp -77.76 143.86 37.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.422 -0.808 . . . . 70.23 109.617 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 68.9 mt -140.49 128.2 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.029 0.932 . . . . 35.22 109.287 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HE1' ' HG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -114.33 107.26 15.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.447 1.099 . . . . 64.05 109.09 -178.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.92 28.14 17.18 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.072 0.858 . . . . 63.4 112.593 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.24 11.14 57.7 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.932 0.733 . . . . 64.23 114.932 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -132.06 114.01 14.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.526 0.663 . . . . 71.34 109.358 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 13.9 pt20 -66.86 137.91 56.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.83 0.852 . . . . 74.01 111.121 -174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 23' ' ' ILE . 3.6 mm? -73.96 152.15 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.131 0.572 . . . . 73.33 111.553 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -143.72 126.96 16.63 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.721 1.208 . . . . 63.54 108.466 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.696 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 56.1 m-20 -50.58 -41.78 54.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.575 1.55 . . . . 75.14 113.805 -169.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.02 54.52 Favored Glycine 0 C--N 1.336 0.581 0 CA-C-N 115.664 -0.698 . . . . 60.22 114.638 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.5 177.24 5.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.424 0.689 . . . . 73.34 109.887 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -106.19 166.4 10.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.218 1.007 . . . . 72.32 109.469 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.8 mm? -64.24 -55.49 21.19 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.199 0.6 . . . . 65.03 110.618 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -64.26 -14.77 57.81 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.354 0.872 . . . . 74.42 113.354 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.51 -38.77 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.396 0.678 . . . . 74.33 109.894 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.502 ' HB2' HG13 ' A' ' 61' ' ' ILE . 23.4 m-85 -94.1 4.29 54.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.676 0.79 . . . . 65.51 110.992 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.94 40.25 7.47 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.442 1.115 . . . . 62.24 109.517 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 59' ' ' TYR . 92.8 mt -73.79 94.81 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 114.315 -1.311 . . . . 75.02 109.597 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -89.42 -172.31 3.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.168 -1.378 . . . . 75.44 110.18 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 101' ' ' MET . 37.3 ttmt -70.97 151.9 44.17 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.654 -0.498 . . . . 60.14 109.654 173.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 51.41 22.61 1.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.89 2.076 . . . . 73.35 113.405 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.467 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 8.1 t -78.17 130.44 36.34 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.945 -0.761 . . . . 72.11 108.945 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.37 116.16 29.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.613 0.72 . . . . 55.21 111.528 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' LEU . 2.6 tt -91.01 125.88 35.93 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.916 -1.513 . . . . 54.12 106.916 172.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 tt -105.65 133.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.34 -0.985 . . . . 72.15 108.34 170.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD22 HG21 ' A' ' 36' ' ' ILE . 5.2 mp -107.13 113.56 27.08 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.071 -0.715 . . . . 70.51 109.071 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' C' ' 760' ' ' ALA . 4.6 mp -95.85 125.04 40.14 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.129 -1.434 . . . . 73.14 107.129 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' C' ' 764' ' ' ASN . 1.8 pp -74.77 175.11 8.28 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 111.67 0.248 . . . . 71.41 111.67 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 38.0 m -38.53 96.45 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.212 1.405 . . . . 72.1 112.608 174.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -84.65 -44.01 13.85 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.581 -1.266 . . . . 54.54 107.581 163.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.6 tpm_? . . . . . 0 C--O 1.258 1.51 0 CA-C-N 114.735 -1.12 . . . . 64.34 108.478 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . 0.483 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.476 1.331 0 N-CA-C 112.396 -0.282 . . . . 65.51 112.396 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -152.62 168.49 25.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.3 0.64 . . . . 64.31 110.654 -176.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.602 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -119.28 125.41 49.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.825 -1.176 . . . . 71.2 107.825 176.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.25 174.5 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.187 0.595 . . . . 75.33 110.169 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 12' ' ' THR . 22.7 m-85 -114.92 143.82 44.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.757 -0.656 . . . . 53.51 109.568 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.46 106.71 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-O 121.876 0.846 . . . . 71.21 110.131 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.5 t0 -88.42 99.83 12.57 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.817 1.247 . . . . 74.4 109.097 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 9.7 t -103.77 138.7 40.01 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 123.476 0.71 . . . . 70.43 111.218 -173.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.494 HG23 HD13 ' C' ' 765' ' ' LEU . 1.8 p -108.51 108.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 114.576 -1.193 . . . . 71.43 108.44 169.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -142.13 163.14 33.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.809 0.844 . . . . 64.5 109.481 175.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -95.02 173.49 7.55 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.903 0.481 . . . . 55.34 109.866 170.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.5 114.13 4.03 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.653 -0.703 . . . . 61.54 109.457 167.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 4' ' ' PHE . 52.0 m -81.62 122.98 28.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.772 0.829 . . . . 64.23 110.351 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' B' ' 134' ' ' GLU . 15.0 mm -102.23 108.95 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.614 -0.884 . . . . 74.3 108.614 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.7 p -87.62 113.53 23.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 72.43 110.077 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.97 135.78 31.52 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 110.503 -0.184 . . . . 55.43 110.503 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.3 tt0 -79.79 141.79 35.94 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.992 -0.744 . . . . 73.01 108.992 173.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.98 167.46 26.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.05 0.94 . . . . 73.14 108.828 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -109.18 152.3 42.48 Favored Pre-proline 0 N--CA 1.477 0.919 0 N-CA-C 109.067 -0.716 . . . . 75.11 109.067 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.56 -34.41 75.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.179 1.919 . . . . 72.41 111.577 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.8 p -82.64 -1.63 51.58 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.353 1.061 . . . . 61.01 112.312 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -80.98 164.32 22.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 73.55 110.2 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.37 166.43 11.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.639 0.775 . . . . 74.11 110.313 170.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 154' ' ' ARG . 44.6 mm -64.66 -25.91 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.109 0.964 . . . . 74.01 110.395 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.19 -25.7 67.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.238 0.615 . . . . 62.44 111.027 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.91 -50.91 45.47 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 123.498 0.719 . . . . 71.05 109.929 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.08 -46.14 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.519 0.728 . . . . 74.32 109.707 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -52.08 -54.81 25.75 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.481 -1.69 . . . . 73.21 111.338 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.02 65.16 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.78 -0.645 . . . . 61.33 111.585 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -74.92 -46.34 36.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 62.11 110.984 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.638 HG21 HG11 ' A' ' 5' ' ' VAL . 26.9 pt -69.24 -29.68 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 120.874 0.369 . . . . 63.11 110.344 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -73.83 -36.46 64.94 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.562 0.745 . . . . 70.22 111.315 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.14 -49.4 57.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.464 0.706 . . . . 73.3 110.725 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -75.26 -60.99 2.05 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.503 -1.226 . . . . 43.01 110.976 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' B' ' 113' ' ' ILE . 38.7 mm-40 -102.25 -9.8 20.1 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.876 -0.602 . . . . 53.45 112.346 -166.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.62 16.77 80.44 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 119.256 -0.747 . . . . 74.43 113.56 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.58 HD12 ' HB ' ' B' ' 130' ' ' ILE . 71.1 mt -62.6 115.99 20.44 Favored Pre-proline 0 C--N 1.361 1.07 0 C-N-CA 123.032 0.533 . . . . 62.41 109.69 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 73.0 Cg_endo -80.72 113.76 2.86 Favored 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.456 2.104 . . . . 61.23 110.229 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.51 -38.96 30.34 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.85 2.367 . . . . 51.24 113.661 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.47 -34.02 75.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.325 -0.852 . . . . 75.22 110.705 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.532 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.4 OUTLIER -89.78 -24.15 21.56 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.103 0.961 . . . . 74.31 111.098 -177.374 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -132.87 103.8 6.26 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.209 1.004 . . . . 73.44 108.751 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -84.7 130.8 34.65 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.533 0.733 . . . . 74.3 111.38 -174.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.78 134.67 35.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.516 0.726 . . . . 63.11 110.249 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' B' ' 168' ' ' ILE . 22.1 t70 -132.03 145.49 51.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.142 0.977 . . . . 74.34 109.183 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -130.76 103.62 6.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.882 0.873 . . . . 65.14 109.778 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.41 29.44 19.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.252 1.021 . . . . 75.51 112.557 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.29 -8.37 69.47 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 116.133 -0.485 . . . . 72.44 113.41 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -106.62 115.62 30.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.869 0.868 . . . . 73.24 109.403 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -67.73 149.03 50.49 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.361 0.664 . . . . 62.35 110.425 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 65.5 mt -92.34 122.12 34.49 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.793 -0.639 . . . . 71.0 109.63 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -70.32 126.84 30.81 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.241 -1.392 . . . . 71.24 107.241 171.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.04 -38.87 73.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.755 1.222 . . . . 75.44 113.498 -166.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -104.64 21.87 35.52 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.8 -0.444 . . . . 75.03 113.218 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 17.4 ttm180 -96.02 168.88 10.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.563 0.745 . . . . 75.22 109.268 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 m -102.78 153.76 19.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.926 0.785 . . . . 73.34 110.947 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.43 HD12 HG21 ' B' ' 161' ' ' ILE . 3.3 mm? -65.41 -40.61 93.6 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.522 0.729 . . . . 74.24 110.717 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 59.6 m -57.28 -35.62 70.03 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.157 0.583 . . . . 75.13 112.07 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.76 -33.39 66.55 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.056 0.848 . . . . 41.44 111.074 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.92 -9.95 27.39 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 119.103 -0.475 . . . . 64.51 111.002 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 60.24 54.09 4.15 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.465 1.126 . . . . 73.22 109.727 -174.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.43 HG21 HD12 ' B' ' 156' ' ' LEU . 3.7 mm -72.22 130.98 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 114.118 -1.401 . . . . 75.13 110.057 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.01 169.24 9.82 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 123.502 0.721 . . . . 73.02 110.831 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.53 143.33 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 115.362 -0.835 . . . . 55.12 108.785 171.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER 53.47 28.97 8.23 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.965 1.706 . . . . 74.34 114.118 -175.211 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 3' ' ' ILE . 67.5 m -64.21 111.47 2.6 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 110.24 -0.282 . . . . 65.25 110.24 162.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . . . -86.97 143.16 27.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.681 0.792 . . . . 42.11 110.53 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.4 mt -132.76 143.14 49.39 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.346 1.058 . . . . 64.31 109.91 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.6 tt -111.32 121.16 63.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.404 0.682 . . . . 74.25 109.884 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 5' ' ' VAL . 10.2 mp -87.59 119.56 28.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.541 -0.754 . . . . 73.54 110.52 171.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.37 164.87 11.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.468 1.107 . . . . 75.11 108.141 169.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.449 ' HG ' HG22 ' B' ' 172' ' ' THR . 28.9 tp -65.94 163.58 16.84 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 122.846 0.458 . . . . 72.02 110.614 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.1 t . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.436 1.494 . . . . 71.03 112.644 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 111.569 0.211 . . . . 61.43 111.569 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.7 -59.69 4.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.081 1.352 . . . . 55.24 112.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 11.1 pt20 -62.56 -37.81 87.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 124.285 0.991 . . . . 71.2 111.61 -175.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.93 -43.14 75.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.091 0.957 . . . . 71.4 110.838 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -55.56 -46.84 77.1 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.985 -1.462 . . . . 73.24 111.032 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -68.86 -31.16 69.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.585 0.553 . . . . 72.34 110.134 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 38.4 mm-40 -60.89 -60.11 4.32 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 108.291 -1.003 . . . . 71.12 108.291 172.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.11 -38.74 53.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.863 1.265 . . . . 71.51 111.421 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 6.8 tt -73.49 -33.45 64.82 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.558 0.743 . . . . 51.14 110.377 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -43.91 83.65 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.013 -0.736 . . . . 64.55 109.013 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 73.9 m-85 -57.06 -44.76 83.35 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.455 0.702 . . . . 71.25 110.166 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.559 ' O ' ' HG3' ' C' ' 759' ' ' GLN . 31.3 t-105 -58.98 -45.75 89.83 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.459 -1.246 . . . . 74.55 110.111 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 97.2 m -59.31 -36.17 75.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.883 0.873 . . . . 71.31 110.716 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.56 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 38.1 m-85 -62.46 -54.91 33.08 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 110.104 -0.332 . . . . 73.33 110.104 173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.486 HG13 ' O ' ' C' ' 754' ' ' PHE . 49.9 mt -61.37 -49.26 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.139 0.899 . . . . 73.5 112.098 -173.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' C' ' 755' ' ' TRP . 0.0 OUTLIER -80.93 -32.45 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.084 -0.96 . . . . 74.44 112.374 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.566 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -74.68 -25.28 59.06 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 119.316 0.962 . . . . 63.23 111.549 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 19.5 ptp -73.64 -54.66 7.63 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.168 -1.049 . . . . 74.32 108.168 166.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' C' ' 816' ' ' ARG . 20.5 mt -62.35 -10.96 12.8 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.342 1.457 . . . . 73.21 113.698 -178.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 61.4 m -52.71 -28.04 20.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.536 0.735 . . . . 72.12 110.483 169.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.405 ' HB3' HD21 ' A' ' 71' ' ' LEU . 6.9 t30 -142.79 -21.49 0.65 Allowed 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.211 1.004 . . . . 71.4 111.613 -175.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.594 HD23 HD11 ' C' ' 768' ' ' LEU . 16.2 tp -96.25 41.04 1.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.851 1.26 . . . . 74.1 109.426 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.13 80.72 0.69 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.934 0.894 . . . . 63.32 112.556 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 28.5 p 169.2 72.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.474 1.51 . . . . 64.32 109.79 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . 0.594 HD11 HD23 ' C' ' 765' ' ' LEU . 86.9 mt -126.61 113.55 16.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.409 0.684 . . . . 64.23 111.371 -174.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.7 t -67.55 153.29 44.02 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 115.369 -0.832 . . . . 73.14 109.728 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.61 HD13 HD11 ' C' ' 773' ' ' ILE . 0.1 OUTLIER -52.21 -41.74 62.96 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.326 1.016 . . . . 74.03 110.074 174.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.39 -56.51 14.45 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.99 0.916 . . . . 45.52 111.155 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -58.15 -55.01 40.54 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 114.007 -1.451 . . . . 72.12 111.587 -173.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.61 HD11 HD13 ' C' ' 770' ' ' LEU . 2.8 pp -68.62 -23.69 28.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-N 115.995 -0.548 . . . . 64.21 111.034 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.402 ' HA ' ' CD1' ' C' ' 795' ' ' LEU . 68.3 t80 -65.04 -44.64 88.39 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.19 0.45 . . . . 65.3 110.061 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -61.4 -43.45 98.85 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.218 0.324 . . . . 75.42 110.686 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 92.5 mmm -56.42 -64.22 0.94 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.805 0.69 . . . . 72.33 111.136 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' C' ' 790' ' ' ILE . 0.7 OUTLIER -48.07 -52.41 20.36 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.554 1.542 . . . . 53.41 111.389 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -59.73 -38.87 82.89 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.654 0.781 . . . . 73.44 111.976 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 3.6 ttp -58.51 -45.75 88.13 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.964 0.79 . . . . 62.02 110.061 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . 0.459 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 33.3 m-85 -66.14 -35.29 80.1 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.952 -0.567 . . . . 72.44 112.156 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.549 HG21 HG12 ' C' ' 790' ' ' ILE . 2.1 t -77.45 -29.0 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-N 118.096 0.407 . . . . 65.05 111.418 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 -30.55 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.914 -0.491 . . . . 64.12 110.344 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.6 p -73.19 -25.97 60.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.756 0.312 . . . . 72.13 111.015 173.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -133.4 91.41 0.26 Allowed Glycine 0 C--N 1.341 0.829 0 N-CA-C 109.958 -1.257 . . . . 75.1 109.958 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.65 13.63 0.21 Allowed 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.982 3.121 . . . . 72.22 115.28 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.93 -35.22 14.48 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.022 1.329 . . . . 63.22 113.727 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 67.6 mt -103.88 -17.54 14.99 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.403 0.681 . . . . 74.31 111.595 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.1 71.11 0.59 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.564 1.146 . . . . 75.3 111.87 -171.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 54.64 99.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.639 1.576 . . . . 64.45 113.603 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.0 pt -65.41 148.93 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.298 0.571 . . . . 74.11 110.452 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -102.46 170.71 7.89 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 115.554 -0.748 . . . . 72.32 110.107 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.32 -40.01 61.34 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 124.905 1.282 . . . . 75.23 111.826 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -76.04 -32.22 59.23 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 118.862 -0.589 . . . . 73.54 111.97 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.91 -61.08 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.232 -0.655 . . . . 73.23 109.232 169.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -65.19 -50.45 65.86 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 114.224 -1.353 . . . . 73.41 111.752 -172.457 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.69 -48.56 79.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.261 0.624 . . . . 70.43 110.262 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.6 85.69 Favored Glycine 0 C--N 1.355 1.629 0 O-C-N 124.111 0.882 . . . . 60.23 113.244 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.4 t80 -64.94 -55.02 21.68 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.959 0.903 . . . . 64.44 109.64 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.48 HD11 HD11 ' C' ' 773' ' ' ILE . 74.7 mt -59.67 -43.51 93.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.549 1.14 . . . . 63.35 111.362 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.23 -47.64 80.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.611 1.194 . . . . 74.52 109.71 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -50.32 71.01 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 124.471 1.107 . . . . 72.33 110.948 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.3 mmtt -54.25 -39.71 67.07 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.787 0.662 . . . . 72.33 112.787 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 63.4 t -69.29 -42.76 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.69 0.796 . . . . 64.24 110.298 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -75.74 -9.39 58.55 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.767 0.827 . . . . 74.41 111.841 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.45 -1.6 35.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.947 0.899 . . . . 73.32 111.484 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.99 13.38 9.03 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.254 1.422 . . . . 74.44 111.943 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -92.41 -12.67 31.59 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.741 1.216 . . . . 63.33 110.562 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -133.61 139.73 46.69 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 106.919 -1.512 . . . . 71.43 106.919 172.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.85 116.17 47.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.766 -0.827 . . . . 61.12 108.766 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -91.95 106.91 18.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.646 -1.242 . . . . 74.13 107.646 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 14.5 t -76.26 -149.73 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.973 0.909 . . . . 64.44 109.539 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.41 74.5 1.9 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.135 0.493 . . . . 72.35 110.131 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.73 76.15 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 115.314 -0.857 . . . . 44.45 113.9 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.51 136.49 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 117.032 0.416 . . . . 34.12 110.512 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.6 139.79 30.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.779 0.832 . . . . 70.32 111.413 -174.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . 0.713 ' HA ' HD22 ' C' ' 762' ' ' LEU . 4.9 ppt_? -159.0 146.87 17.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.516 -0.92 . . . . 65.3 108.516 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 18.1 mt -76.57 150.79 82.43 Favored Pre-proline 0 N--CA 1.498 1.93 0 CA-C-N 118.963 0.802 . . . . 64.31 113.099 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--N 1.378 2.095 0 C-N-CA 122.933 2.422 . . . . 71.2 111.43 161.813 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.472 -0.251 . . . . 63.41 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.17 149.58 41.48 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.974 -0.75 . . . . 71.33 108.974 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -98.11 148.9 23.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.421 0.688 . . . . 74.55 109.357 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 pt -131.97 155.59 41.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-O 120.913 0.387 . . . . 63.41 110.365 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -107.75 121.66 45.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.043 -1.095 . . . . 74.31 108.043 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -108.21 93.15 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.094 -1.076 . . . . 72.23 108.094 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.27 94.85 2.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.688 -1.142 . . . . 74.02 109.379 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -93.95 126.23 39.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.064 0.459 . . . . 74.31 109.976 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.83 127.79 72.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 121.939 0.876 . . . . 62.33 109.807 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.72 85.61 3.61 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.042 -1.466 . . . . 62.33 107.042 171.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' B' ' 107' ' ' THR . 6.8 t-105 -105.56 104.98 14.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 106.632 -1.618 . . . . 74.53 106.632 173.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' B' ' 171' ' ' LEU . 16.8 tppt? -158.38 128.09 5.86 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.643 -0.708 . . . . 73.31 111.445 -163.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' B' ' 104' ' ' PHE . 8.3 m -84.14 100.52 11.2 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.749 -0.834 . . . . 73.35 108.749 173.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 5.8 mt -92.36 172.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 125.051 1.34 . . . . 74.42 108.623 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -119.32 127.42 53.18 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.342 0.657 . . . . 71.11 109.355 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.35 170.09 16.47 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.834 -0.802 . . . . 72.12 108.834 170.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -116.47 136.87 52.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.756 0.313 . . . . 73.35 110.306 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.59 167.36 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.219 1.008 . . . . 72.4 109.501 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.2 147.94 37.33 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 108.913 -0.773 . . . . 63.22 108.913 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.55 -34.18 65.19 Favored 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 122.738 2.292 . . . . 75.12 111.978 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 m -83.86 0.4 47.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.986 0.914 . . . . 63.42 112.095 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.76 156.28 26.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.113 0.565 . . . . 71.43 110.128 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -88.32 163.24 16.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.368 0.667 . . . . 71.35 110.279 170.283 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 50' ' ' LEU . 41.3 mm -67.76 -24.93 31.5 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 C-N-CA 123.971 0.908 . . . . 73.42 111.065 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 11.1 pt-20 -57.03 -30.61 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.761 -0.654 . . . . 74.11 110.507 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.95 -55.45 25.75 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.893 0.477 . . . . 75.34 109.888 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.56 -36.19 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 123.337 0.398 . . . . 65.12 111.093 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -40.11 85.39 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 110.136 -0.32 . . . . 72.42 110.136 173.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.99 65.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.739 0.416 . . . . 75.42 111.413 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.1 mmpt? -78.03 -46.44 20.94 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 119.1 -0.476 . . . . 72.3 110.397 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.487 ' HB ' HD12 ' A' ' 36' ' ' ILE . 29.8 pt -66.54 -26.87 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.358 0.599 . . . . 73.25 110.714 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.426 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 8.6 tt0 -71.24 -43.42 67.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.185 0.994 . . . . 71.11 111.321 171.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.3 -39.4 89.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.08 0.952 . . . . 65.0 110.855 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.38 -70.84 0.62 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 114.346 -1.297 . . . . 51.02 110.329 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.4 -27.95 31.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.14 0.576 . . . . 74.32 111.617 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.86 26.96 20.81 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.19 0.306 . . . . 75.32 112.967 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' HB ' ' A' ' 30' ' ' ILE . 68.5 mt -76.24 109.79 9.41 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.158 0.983 . . . . 62.1 109.359 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 6.3 Cg_exo -74.45 135.56 20.38 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.872 2.381 . . . . 72.13 111.951 -174.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 17.7 Cg_endo -56.31 -44.07 49.82 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 124.382 3.388 . . . . 71.44 113.542 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.52 -4.05 37.6 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.298 -0.865 . . . . 55.21 112.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.88 17.98 8.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.88 0.872 . . . . 74.51 112.03 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.553 ' NE2' HD21 ' A' ' 43' ' ' LEU . 20.5 pt20 -131.63 158.99 39.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.244 0.618 . . . . 62.44 111.675 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -142.79 127.68 18.33 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.534 -1.284 . . . . 60.11 107.534 169.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.553 HD21 ' NE2' ' A' ' 41' ' ' GLN . 50.4 mt -97.53 124.26 41.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.781 0.833 . . . . 55.23 110.357 -172.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.6 HG21 ' CE1' ' C' ' 757' ' ' TYR . 34.5 mm -118.86 107.95 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.028 -0.73 . . . . 73.33 109.028 172.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -110.43 104.26 13.0 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.262 -1.014 . . . . 64.13 108.262 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.81 30.96 16.71 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.03 0.832 . . . . 65.41 112.017 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 97.2 -9.55 65.28 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-N 115.304 -0.862 . . . . 73.31 114.572 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.57 147.88 23.69 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 117.66 0.73 . . . . 63.2 110.216 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -104.74 100.01 9.65 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.538 1.135 . . . . 62.55 108.183 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 23' ' ' ILE . 7.8 mp -73.38 112.05 9.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.248 -1.342 . . . . 53.21 111.846 -169.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.79 127.72 33.12 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.856 1.348 . . . . 54.04 109.569 171.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.43 -38.86 69.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.468 1.107 . . . . 61.12 112.039 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.76 7.98 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.267 -0.879 . . . . 74.11 113.473 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.43 177.46 4.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.899 0.88 . . . . 71.25 109.02 172.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -108.12 155.18 20.7 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.759 0.824 . . . . 64.44 109.646 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.48 -48.65 80.83 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.321 0.648 . . . . 60.53 110.058 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.0 t -63.15 -24.56 67.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.312 -0.858 . . . . 53.53 112.517 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.04 -37.46 74.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.18 0.592 . . . . 64.3 110.874 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.6 m-85 -96.1 -9.18 31.42 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.011 -0.366 . . . . 72.24 110.011 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.06 64.54 1.49 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.371 1.044 . . . . 71.34 109.753 -168.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 59' ' ' TYR . 1.7 mp -61.92 108.84 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 107.496 -1.298 . . . . 74.23 107.496 168.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 18.4 pt20 -85.3 164.5 17.97 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.474 -0.784 . . . . 70.24 110.039 176.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.611 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -68.47 144.62 54.59 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.696 -0.684 . . . . 73.31 111.301 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 56.26 25.78 9.69 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 125.013 1.445 . . . . 74.41 112.351 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.515 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 11.2 t -80.47 147.29 30.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.55 -0.75 . . . . 71.51 109.306 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.45 139.43 30.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.804 0.811 . . . . 60.03 111.024 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG12 ' B' ' 105' ' ' VAL . 50.6 tp -133.02 139.74 47.37 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.831 1.653 . . . . 60.14 106.869 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' SD ' ' C' ' 776' ' ' MET . 3.0 tt -118.73 135.17 60.01 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 N-CA-C 108.095 -1.076 . . . . 75.02 108.095 170.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 HG22 ' B' ' 107' ' ' THR . 52.8 mt -107.23 103.38 12.75 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.869 -1.059 . . . . 70.0 108.234 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.656 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.4 mp -96.91 117.94 32.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.172 -1.047 . . . . 63.45 108.172 -173.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' HG ' HG13 ' B' ' 108' ' ' VAL . 71.4 mt -69.35 171.97 7.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.442 0.297 . . . . 53.22 110.436 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -40.98 109.81 0.13 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.64 1.176 . . . . 43.52 112.692 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.4 pp -67.02 -44.11 81.13 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.656 -0.498 . . . . 65.32 109.656 168.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' N ' HD12 ' A' ' 73' ' ' LEU . 75.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.018 1.727 . . . . 63.31 107.816 167.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.924 -0.47 . . . . 44.31 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.0 150.95 46.43 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.144 0.577 . . . . 73.34 110.235 -178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.98 160.52 17.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.629 -0.714 . . . . 64.02 109.122 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.9 pt -145.14 151.16 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.585 0.754 . . . . 53.21 109.894 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 18.3 m-85 -108.73 115.04 29.33 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 108.417 -0.957 . . . . 74.31 108.417 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 67' ' ' LEU . 24.6 m -113.37 123.57 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 120.823 0.344 . . . . 55.33 110.868 -168.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.23 99.03 12.13 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.648 -1.241 . . . . 61.12 107.648 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.692 ' HB ' HE22 ' B' ' 109' ' ' GLN . 82.8 p -93.24 134.35 35.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.539 1.535 . . . . 73.04 110.39 -172.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.521 HG13 ' HG ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -118.18 117.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.511 1.124 . . . . 55.0 109.78 175.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.692 HE22 ' HB ' ' B' ' 107' ' ' THR . 27.5 mp0 -131.85 86.42 2.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.511 0.724 . . . . 54.14 109.647 172.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -88.25 134.99 33.66 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.736 -0.838 . . . . 63.32 108.736 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -147.84 133.95 19.33 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.248 1.419 . . . . 75.11 108.558 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 26.9 m -93.84 117.66 30.39 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.129 -0.693 . . . . 71.13 109.129 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 31.0 mt -92.39 154.36 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 107.57 -1.27 . . . . 40.23 107.57 172.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 89.5 m -137.93 125.39 21.99 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.584 -1.265 . . . . 75.54 107.584 174.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -138.02 170.33 16.24 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.427 -0.953 . . . . 71.01 108.427 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 30.5 tt0 -118.64 143.1 47.05 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.808 -0.812 . . . . 63.02 108.808 171.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.24 165.75 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 123.159 0.584 . . . . 75.34 109.876 -174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 11.0 mm-40 -107.87 141.92 24.14 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 124.173 0.989 . . . . 75.02 110.548 -175.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 118' ' ' GLU . 34.3 Cg_exo -61.1 -40.01 54.81 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.462 2.775 . . . . 41.01 112.456 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 60.7 m -84.58 -4.47 59.0 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.359 -0.837 . . . . 71.31 111.361 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.434 ' HB3' ' ND2' ' B' ' 125' ' ' ASN . 0.6 OUTLIER -92.26 167.26 12.14 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.133 0.573 . . . . 65.12 109.897 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.5 p -97.17 160.67 14.2 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.46 1.104 . . . . 55.3 111.92 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.483 HD13 HD22 ' B' ' 156' ' ' LEU . 24.7 mm -65.97 -22.06 29.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.854 -1.521 . . . . 75.12 110.847 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.29 -21.06 59.11 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.245 1.018 . . . . 71.45 112.232 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' B' ' 121' ' ' ASP . 76.7 m-20 -64.29 -53.5 48.01 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 123.675 0.79 . . . . 72.3 109.512 171.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.64 -40.92 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.9 0.88 . . . . 72.25 109.95 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.56 -56.09 22.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 114.99 -1.005 . . . . 73.52 110.614 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.99 72.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.14 -0.936 . . . . 64.45 111.142 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.508 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.5 mmpt? -67.97 -54.4 18.85 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.55 0.531 . . . . 73.05 110.512 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.1 pt -67.37 -26.51 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 118.315 0.507 . . . . 73.33 111.131 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 9.8 tt0 -77.15 -26.65 53.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.853 0.861 . . . . 54.12 111.125 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -80.0 -46.35 16.77 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.371 0.605 . . . . 54.11 110.288 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.57 -67.0 0.63 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.745 -1.116 . . . . 71.54 110.299 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.51 -4.67 28.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.038 0.535 . . . . 74.43 111.191 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 68.76 37.1 83.85 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.024 -0.32 . . . . 73.01 113.307 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.93 105.19 7.43 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.051 0.94 . . . . 70.43 109.443 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.89 148.23 76.13 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.097 1.865 . . . . 72.15 111.674 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -44.98 -39.49 14.45 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 124.974 3.783 . . . . 72.53 114.684 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.91 -43.11 89.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.649 -1.16 . . . . 74.52 111.221 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.81 -9.41 58.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.706 0.802 . . . . 74.24 111.492 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -77.49 131.69 38.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.379 1.072 . . . . 74.53 109.932 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.492 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 11.5 ttt85 -140.44 78.42 1.65 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.611 -0.885 . . . . 74.5 108.611 166.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.404 ' H ' HD12 ' B' ' 143' ' ' LEU . 0.2 OUTLIER -73.71 107.14 5.78 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.489 -0.56 . . . . 74.4 109.489 168.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.45 133.17 44.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.416 1.086 . . . . 64.13 108.572 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.462 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 35.5 t80 -132.43 108.19 8.99 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.628 1.171 . . . . 72.24 107.924 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.01 21.97 11.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.754 0.821 . . . . 71.33 112.301 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.73 53.53 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 119.584 -0.565 . . . . 75.13 114.052 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 21.0 ptmt -135.44 127.89 30.48 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 117.595 0.697 . . . . 73.04 109.697 176.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.85 154.02 41.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.589 -0.523 . . . . 73.22 109.589 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.5 HD21 HD23 ' B' ' 167' ' ' LEU . 0.8 OUTLIER -98.58 120.67 39.4 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.451 -0.944 . . . . 75.43 108.451 175.146 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 3.4 mp0 -67.25 130.64 43.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 108.045 -1.095 . . . . 74.41 108.045 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.55 -33.97 73.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.387 0.675 . . . . 74.15 111.486 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.02 0.63 82.66 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.829 -0.623 . . . . 31.22 113.637 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' B' ' 154' ' ' ARG . 1.3 tpm_? -95.31 168.53 10.67 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.556 0.743 . . . . 73.41 109.973 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.9 m -97.77 155.12 17.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.227 0.611 . . . . 73.53 109.931 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 123' ' ' ILE . 3.9 mm? -66.06 -46.42 77.84 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.39 0.676 . . . . 72.33 110.605 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 -25.33 67.86 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.823 -0.626 . . . . 43.22 112.054 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.19 -33.16 65.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.017 0.927 . . . . 72.24 110.557 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.405 ' HB2' HG12 ' B' ' 161' ' ' ILE . 88.4 m-85 -97.57 -9.25 27.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.492 0.717 . . . . 64.34 111.91 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 61.1 t30 60.94 49.99 5.48 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.932 0.872 . . . . 50.1 109.836 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' B' ' 159' ' ' TYR . 4.1 mm -65.91 141.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-N 114.932 -1.031 . . . . 73.22 110.065 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.88 164.74 20.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.22 0.533 . . . . 74.42 111.174 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -58.42 141.34 51.81 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 115.455 -0.793 . . . . 74.25 109.59 174.018 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 61.52 11.02 3.55 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.676 1.99 . . . . 73.35 113.863 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.2 p -60.87 130.55 47.01 Favored 'General case' 0 C--N 1.369 1.426 0 CA-C-N 119.138 0.881 . . . . 50.45 110.282 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.02 128.05 45.08 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.362 0.665 . . . . 63.12 110.682 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.5 HD23 HD21 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -127.97 130.78 48.94 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 106.606 -1.628 . . . . 74.34 106.606 -179.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.33 116.06 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.874 -0.787 . . . . 72.14 108.874 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.9 tp -87.3 105.67 17.4 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.576 -0.898 . . . . 73.35 108.576 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . 0.423 HD23 ' HE ' ' B' ' 142' ' ' ARG . 0.7 OUTLIER -93.21 154.62 17.93 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.255 -1.387 . . . . 63.54 107.255 173.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 11' ' ' LYS . 39.3 tp -70.48 133.92 47.26 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 106.388 -1.708 . . . . 75.05 106.388 162.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 9.7 t . . . . . 0 N--CA 1.487 1.419 0 C-N-CA 126.016 1.726 . . . . 71.14 114.403 -163.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.796 -0.076 . . . . 43.05 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.47 -44.03 37.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.447 0.699 . . . . 74.4 110.807 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 3.6 pt20 -55.22 -51.78 65.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.605 0.566 . . . . 61.01 110.629 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' C' ' 746' ' ' GLN . 0.0 OUTLIER -69.98 -37.92 75.89 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 116.191 -0.458 . . . . 72.13 111.219 -178.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.24 -58.33 8.97 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 65.45 111.389 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -66.27 -43.97 84.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.621 -0.718 . . . . 71.54 111.05 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -47.37 81.56 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.833 0.708 . . . . 63.41 111.451 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.01 -39.02 87.0 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 118.325 0.511 . . . . 62.04 111.114 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -40.69 83.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.759 -0.83 . . . . 65.31 108.759 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.94 -40.7 96.41 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.862 1.265 . . . . 61.32 110.821 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -67.27 -36.93 82.59 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.621 -0.718 . . . . 75.14 109.74 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.507 ' CZ2' ' HG2' ' C' ' 807' ' ' GLN . 30.1 t-105 -74.75 -29.69 61.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.088 -0.96 . . . . 64.42 110.548 176.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 96.9 m -62.19 -36.52 82.14 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.992 -0.744 . . . . 61.52 108.992 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 44' ' ' ILE . 16.5 m-30 -62.6 -67.47 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 116.008 -0.542 . . . . 74.13 110.396 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.504 HD11 HD22 ' C' ' 777' ' ' LEU . 18.9 mt -62.54 -36.24 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 124.181 0.925 . . . . 73.24 111.675 -168.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.33 -54.72 11.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.417 -0.356 . . . . 65.13 110.296 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.535 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -67.01 -29.13 68.87 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.325 0.491 . . . . 54.04 112.325 -172.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.606 ' HG3' HD12 ' C' ' 762' ' ' LEU . 27.5 ptm -78.76 -56.16 4.62 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 118.741 -0.647 . . . . 52.44 110.017 174.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.712 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 9.1 mp -68.66 -18.14 64.22 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.41 0.892 . . . . 75.51 113.41 -172.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . 0.593 HG21 ' HA ' ' A' ' 73' ' ' LEU . 14.3 t -64.16 -25.35 68.04 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.609 0.64 . . . . 70.35 110.891 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -100.02 -44.01 6.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.087 0.955 . . . . 72.22 108.946 171.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.71 58.43 1.67 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.712 1.605 . . . . 74.0 111.062 -171.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.87 60.86 5.6 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.104 0.478 . . . . 74.12 111.04 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 41.0 p -179.25 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.63 1.172 . . . . 74.05 110.576 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.33 127.41 45.49 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.504 0.722 . . . . 65.11 110.374 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.5 m -63.15 141.7 58.67 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.629 0.772 . . . . 71.54 109.346 172.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 18.5 tp -46.01 -37.11 6.23 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 124.615 1.197 . . . . 71.33 112.23 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.61 -43.84 36.57 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.181 1.392 . . . . 73.12 112.876 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.611 HH11 ' HB3' ' C' ' 772' ' ' ARG . 3.3 mtp-105 -63.01 -62.8 1.47 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.662 -0.699 . . . . 70.44 111.016 -176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' C' ' 777' ' ' LEU . 0.1 OUTLIER -71.05 -23.02 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 115.211 -0.904 . . . . 72.01 110.09 -174.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -62.38 -61.95 2.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.211 0.604 . . . . 72.12 109.637 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.53 -39.01 78.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.668 0.787 . . . . 74.14 111.228 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . 0.631 ' SD ' HD12 ' A' ' 68' ' ' ILE . 47.5 ttm -65.86 -62.27 1.6 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.649 1.18 . . . . 75.43 111.625 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' C' ' 795' ' ' LEU . 4.8 tp -56.45 -43.02 79.11 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.694 0.798 . . . . 64.41 111.011 -178.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' C' ' 781' ' ' VAL . 69.2 ttt180 -71.34 -32.37 68.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.967 -1.015 . . . . 72.41 111.08 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 47.7 ttp -56.29 -49.74 73.4 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.949 -0.759 . . . . 73.0 108.949 170.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -61.18 -39.43 90.12 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.753 0.658 . . . . 71.23 112.484 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.835 HG11 HG12 ' C' ' 790' ' ' ILE . 2.9 p -72.16 -30.48 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 111.948 0.351 . . . . 71.55 111.948 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.7 -21.82 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 112.147 0.425 . . . . 65.45 112.147 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.0 p -68.94 -24.56 64.29 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 111.899 0.333 . . . . 72.33 111.899 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.34 -178.52 15.57 Favored Glycine 0 C--O 1.24 0.5 0 N-CA-C 110.318 -1.113 . . . . 52.14 110.318 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.29 -43.96 37.17 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.453 2.102 . . . . 61.42 110.756 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 38.01 -86.11 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.637 1.975 . . . . 62.51 114.697 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 72.8 mt -133.23 21.72 4.06 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.56 1.144 . . . . 73.43 110.679 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.28 50.64 3.75 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.858 1.263 . . . . 60.41 111.318 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 42.19 99.01 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.605 1.962 . . . . 73.12 113.681 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.835 HG12 HG11 ' C' ' 781' ' ' VAL . 18.3 pt -76.71 174.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.33 0.652 . . . . 74.22 112.139 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . 0.591 ' HB3' HE21 ' C' ' 793' ' ' GLN . 37.9 t70 -121.97 178.48 4.87 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.776 0.83 . . . . 64.13 110.157 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.45 -53.13 2.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.778 1.631 . . . . 52.22 112.23 171.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . 0.591 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.7 pp0? -54.05 -35.91 62.52 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.804 0.842 . . . . 72.04 112.463 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' C' ' 790' ' ' ILE . 4.5 tp10 -85.75 -41.1 15.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.543 0.737 . . . . 73.34 110.736 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' C' ' 777' ' ' LEU . 0.2 OUTLIER -64.63 -55.17 21.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.303 1.041 . . . . 53.01 109.081 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -50.61 -56.62 10.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 113.997 -1.456 . . . . 73.14 109.294 170.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -48.24 -41.42 23.44 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 124.398 1.061 . . . . 62.31 114.077 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 45.5 t80 -66.05 -57.48 7.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.135 0.974 . . . . 63.02 111.171 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.82 -37.19 73.2 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.857 -1.065 . . . . 73.51 109.968 -170.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -70.53 -32.29 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.962 -0.563 . . . . 75.54 109.626 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -58.13 -48.09 81.29 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 109.668 -0.493 . . . . 75.32 109.668 170.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -54.64 -41.34 69.96 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 123.527 0.517 . . . . 61.15 111.614 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 64.7 t -59.31 -42.81 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 CA-C-O 120.754 0.311 . . . . 73.02 111.27 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -73.86 -23.37 59.6 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.754 0.422 . . . . 75.54 111.421 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.15 4.65 41.49 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.615 1.166 . . . . 64.04 110.967 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 64.02 13.67 7.89 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.216 1.406 . . . . 72.31 111.135 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . 0.507 ' HG2' ' CZ2' ' C' ' 755' ' ' TRP . 26.5 tt0 -102.2 9.04 40.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.754 1.222 . . . . 61.24 110.798 -173.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 0.0 OUTLIER -161.89 142.74 10.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.26 -1.755 . . . . 73.51 106.26 176.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 79.0 t -111.72 129.45 67.11 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 109.21 -0.663 . . . . 74.14 109.21 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -93.1 109.94 21.42 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.896 -1.15 . . . . 74.3 107.896 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.583 ' HB3' HG13 ' C' ' 814' ' ' VAL . 21.8 t -79.3 -157.17 0.12 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.008 -0.738 . . . . 53.32 109.008 172.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.84 76.33 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.022 0.529 . . . . 40.31 111.15 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.76 75.8 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.46 -0.791 . . . . 71.44 112.399 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' C' ' 811' ' ' SER . 5.0 p -145.38 140.89 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.734 -0.839 . . . . 51.01 108.734 178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' C' ' 803' ' ' VAL . 56.6 m-85 -95.31 147.32 23.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.763 0.316 . . . . 54.1 111.072 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -156.42 132.08 9.56 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.197 -0.91 . . . . 72.41 109.736 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 11.9 tp -78.92 132.18 64.81 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 119.347 -0.358 . . . . 73.43 110.489 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 CA--C 1.555 1.538 0 C-N-CA 121.999 1.8 . . . . 52.0 111.643 170.395 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 111.788 -0.525 . . . . 54.43 111.788 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.3 159.05 28.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 72.21 109.421 -175.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.482 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 1.2 mp0 -91.12 157.09 17.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.082 0.468 . . . . 73.43 111.457 -171.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.476 HD11 HG11 ' B' ' 117' ' ' VAL . 31.1 mt -135.1 152.03 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 N-CA-C 108.521 -0.918 . . . . 54.21 108.521 164.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -104.77 131.22 52.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.761 0.824 . . . . 54.11 108.894 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 57.4 t -102.54 95.11 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.912 -0.773 . . . . 62.41 108.912 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.83 94.6 9.88 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 -172.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 4.5 t -92.7 108.85 20.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.031 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.519 HG21 HD12 ' C' ' 765' ' ' LEU . 9.7 p -102.18 123.04 55.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 121.946 0.879 . . . . 75.23 110.134 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -107.91 84.53 1.97 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.801 -1.09 . . . . 53.32 108.723 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 57.7 t-105 -90.15 104.33 16.92 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 106.006 -1.85 . . . . 52.22 106.006 168.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.32 139.96 18.87 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.509 0.505 . . . . 73.41 111.221 -168.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.6 m -83.03 125.15 31.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.776 . . . . 72.53 109.323 174.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' B' ' 105' ' ' VAL . 45.6 mm -92.89 160.74 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 107.807 -1.183 . . . . 71.34 107.807 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.3 m -132.43 121.68 23.79 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.092 -1.077 . . . . 62.34 108.092 170.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 HG21 ' B' ' 105' ' ' VAL . 3.5 pp -117.02 170.98 8.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.889 -0.782 . . . . 55.22 108.889 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -126.67 127.41 45.12 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.109 -1.071 . . . . 73.04 108.109 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -144.85 173.71 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.804 0.842 . . . . 53.12 109.885 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -116.45 146.77 38.19 Favored Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 123.518 0.727 . . . . 61.43 109.522 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 30.0 Cg_endo -62.15 -30.08 81.7 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.542 2.161 . . . . 65.1 113.182 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -78.66 -13.11 59.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.073 0.549 . . . . 52.11 112.045 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB3' HD22 ' A' ' 25' ' ' ASN . 95.8 m-20 -72.04 163.03 28.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 122.729 0.412 . . . . 61.32 110.188 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.84 159.24 18.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.354 0.597 . . . . 60.41 110.805 173.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 50' ' ' LEU . 44.7 mm -69.53 -27.32 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.454 -1.248 . . . . 42.13 110.336 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.07 -27.16 69.2 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 122.918 0.487 . . . . 75.54 111.355 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.517 HD22 ' HB3' ' A' ' 21' ' ' ASP . 50.4 m-20 -68.3 -45.19 73.68 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.743 0.652 . . . . 74.54 110.337 174.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 56' ' ' LEU . 85.3 t -61.14 -48.07 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.922 0.889 . . . . 65.24 109.945 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.57 -48.29 81.41 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.638 -1.619 . . . . 64.11 110.857 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.98 -33.21 70.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.467 -0.788 . . . . 74.55 111.652 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.4 ptpt -76.88 -38.2 54.06 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.133 0.424 . . . . 70.32 110.901 -177.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.678 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.8 pt -69.82 -33.68 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 121.007 0.432 . . . . 71.21 110.058 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -65.64 -41.08 93.0 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.467 -0.788 . . . . 74.35 111.457 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.69 -50.82 47.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.74 0.816 . . . . 72.32 110.85 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.25 -56.38 3.8 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.645 -1.161 . . . . 52.43 111.597 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -87.86 -17.13 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 122.677 0.391 . . . . 71.33 111.59 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.98 43.3 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 112.392 -0.283 . . . . 74.42 112.392 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' HB ' ' A' ' 30' ' ' ILE . 93.0 mt -79.12 114.57 45.65 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.526 1.13 . . . . 73.3 110.804 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HB2' ' HG3' ' A' ' 40' ' ' GLN . 5.7 Cg_exo -81.05 107.32 1.89 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.61 2.207 . . . . 72.15 110.047 172.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.18 -34.72 88.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.97 2.447 . . . . 72.13 114.321 -169.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.59 -47.02 77.15 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.26 -0.882 . . . . 72.11 111.827 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -89.25 -5.21 57.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.669 0.248 . . . . 74.34 111.669 -177.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.465 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 9.6 tt0 -131.55 90.06 2.8 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.17 -1.048 . . . . 72.24 108.17 175.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.76 125.82 29.92 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.863 -1.062 . . . . 65.33 111.066 -170.273 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.614 HD23 HD21 ' A' ' 67' ' ' LEU . 4.6 mp -87.18 138.85 31.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.871 0.868 . . . . 74.44 110.741 -174.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.72 121.6 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 108.372 -0.973 . . . . 71.32 108.372 172.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -109.56 114.96 29.03 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.736 -1.209 . . . . 73.12 107.736 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.46 9.07 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.158 0.799 . . . . 45.02 113.158 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.58 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 91.58 22.49 31.24 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 116.436 -0.347 . . . . 75.52 113.571 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -136.87 136.0 38.33 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.107 0.563 . . . . 74.5 110.603 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.85 132.15 35.44 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.128 0.971 . . . . 74.41 110.346 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.714 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.0 mm? -87.85 104.94 17.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.866 0.867 . . . . 73.5 111.094 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -79.86 121.11 25.0 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.698 -0.852 . . . . 75.24 108.698 163.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p-10 -64.13 -23.42 67.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.573 0.749 . . . . 70.23 112.48 -173.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.31 0.18 81.1 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 124.145 0.903 . . . . 64.33 114.292 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.48 176.4 5.16 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 117.788 0.794 . . . . 73.45 109.223 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 p -101.6 164.59 11.67 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.962 -0.384 . . . . 61.34 109.962 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.8 mm? -60.47 -35.72 76.58 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 109.246 -0.65 . . . . 74.5 109.246 174.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -63.3 -34.18 77.12 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.892 1.277 . . . . 64.33 112.587 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.45 -29.93 64.62 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.538 0.685 . . . . 60.25 111.084 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.489 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.1 m-85 -102.1 -1.85 30.68 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.453 -0.794 . . . . 72.34 111.153 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t30 59.41 39.78 21.65 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.413 1.085 . . . . 74.13 110.213 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.489 HG13 ' HB2' ' A' ' 59' ' ' TYR . 99.5 mt -71.99 98.29 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.21 -0.905 . . . . 62.53 109.868 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.97 -179.07 4.56 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.398 1.079 . . . . 73.02 109.534 174.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' B' ' 102' ' ' GLN . 20.0 ptmt -73.88 148.13 42.59 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.772 0.656 . . . . 61.14 112.772 -170.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 54.59 31.16 14.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.591 -1.641 . . . . 41.33 112.25 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -85.41 164.65 17.78 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.295 -0.866 . . . . 72.33 108.749 172.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.96 124.74 50.12 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.066 0.936 . . . . 74.22 112.29 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.614 HD21 HD23 ' A' ' 43' ' ' LEU . 55.7 tp -105.04 147.85 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.871 2.068 . . . . 74.45 107.586 171.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' SD ' ' C' ' 776' ' ' MET . 8.1 tt -126.46 144.59 36.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-O 121.561 0.696 . . . . 73.55 109.637 169.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -105.92 117.19 33.39 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.653 1.181 . . . . 72.15 108.734 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.7 mm? -96.25 115.66 27.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.698 -1.223 . . . . 74.01 107.698 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 10.3 tt -72.53 156.53 38.92 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.234 -0.654 . . . . 72.33 109.234 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -33.67 102.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.535 1.534 . . . . 63.4 112.95 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' A' ' 74' ' ' ARG . 6.1 tt -63.78 -56.73 13.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.389 -1.278 . . . . 62.42 109.371 -174.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 73' ' ' LEU . 18.5 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-N 114.792 -1.094 . . . . 72.32 109.449 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.18 -0.768 . . . . 74.45 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.445 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -131.2 149.85 52.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.324 1.449 . . . . 63.34 109.553 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.518 ' H ' HE21 ' B' ' 102' ' ' GLN . 0.0 OUTLIER -109.56 124.3 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.948 -1.13 . . . . 74.22 107.948 -177.247 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 25.3 pt -118.61 157.21 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.849 0.46 . . . . 73.45 110.54 -169.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.42 131.28 45.54 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 108.691 -0.855 . . . . 74.1 108.691 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 15' ' ' LEU . 76.6 t -124.77 98.73 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.142 -1.058 . . . . 65.12 108.142 -173.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.42 121.85 27.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.064 -0.717 . . . . 74.42 109.064 -169.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.704 HG22 HD22 ' A' ' 69' ' ' LEU . 66.4 p -123.77 141.45 52.01 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 123.869 0.868 . . . . 63.33 110.934 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.485 ' HB ' ' CE3' ' A' ' 10' ' ' TRP . 5.9 p -121.29 121.85 65.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 123.687 0.795 . . . . 62.32 109.498 170.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -128.89 88.41 2.72 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.425 -0.583 . . . . 61.11 109.425 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -83.84 128.66 34.7 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.137 -1.431 . . . . 62.52 107.137 168.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -136.46 112.76 9.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.073 0.949 . . . . 73.4 108.8 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -79.98 112.14 17.0 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.195 -0.668 . . . . 74.12 109.195 173.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 21.6 mt -94.11 169.24 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 107.344 -1.354 . . . . 71.21 107.344 172.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 44.4 m -143.44 133.07 23.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.369 -0.604 . . . . 55.05 109.369 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -137.12 168.24 19.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.175 0.99 . . . . 74.32 109.345 173.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.482 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 25.2 mt-10 -117.15 140.22 49.78 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.245 0.618 . . . . 73.44 109.705 168.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . 0.476 HG11 HD11 ' A' ' 3' ' ' ILE . 1.9 p -136.02 176.72 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 C-N-CA 124.88 1.272 . . . . 74.3 108.606 -172.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.54 154.89 79.52 Favored Pre-proline 0 N--CA 1.485 1.307 0 N-CA-C 108.821 -0.807 . . . . 63.11 108.821 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.59 -21.95 33.54 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.242 1.295 . . . . 74.2 112.335 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.9 m -84.36 -16.24 43.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 73.33 112.875 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' B' ' 117' ' ' VAL . 0.8 OUTLIER -89.74 174.64 7.61 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 119.219 0.918 . . . . 71.41 110.923 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.4 p -104.05 155.05 18.99 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.162 0.985 . . . . 74.32 112.173 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 32.0 mm -57.81 -30.26 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.974 -1.467 . . . . 64.43 111.163 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.01 -35.7 67.13 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.714 0.806 . . . . 65.34 111.041 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -66.16 -46.34 77.77 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.098 0.874 . . . . 64.41 110.029 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.65 -51.21 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.719 0.808 . . . . 62.15 110.161 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.605 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -69.15 -32.89 72.55 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.521 -0.763 . . . . 75.12 111.32 -177.043 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.99 66.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.508 0.323 . . . . 75.24 111.784 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.6 mmpt? -75.04 -41.28 59.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.419 0.287 . . . . 72.12 111.337 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.648 ' HB ' HD12 ' B' ' 136' ' ' ILE . 24.8 pt -70.47 -30.01 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 109.862 -0.421 . . . . 73.12 109.862 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.533 HE21 ' HA ' ' B' ' 137' ' ' PRO . 34.6 tt0 -68.38 -37.71 80.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.103 0.561 . . . . 71.43 111.325 171.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.33 -53.29 20.33 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.129 0.571 . . . . 71.14 110.811 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -77.33 -51.86 10.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.501 -0.772 . . . . 63.35 110.796 -172.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -103.18 -10.2 18.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.828 -0.624 . . . . 75.15 112.016 -166.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.26 30.27 63.02 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 120.068 -0.296 . . . . 72.24 112.785 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' B' ' 130' ' ' ILE . 93.7 mt -85.61 107.37 12.22 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 124.582 1.153 . . . . 75.13 110.791 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.533 ' HA ' HE21 ' B' ' 131' ' ' GLN . 4.3 Cg_exo -81.18 118.7 3.36 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.178 1.919 . . . . 44.32 109.406 172.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.605 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 9.9 Cg_endo -48.44 -35.18 27.7 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 123.766 2.977 . . . . 71.02 113.832 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.19 -46.21 81.68 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 115.297 -0.865 . . . . 64.33 112.015 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.521 ' NE2' ' HG3' ' B' ' 141' ' ' GLN . 0.0 OUTLIER -84.7 -39.29 18.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.411 0.684 . . . . 74.24 111.56 -172.34 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.521 ' HG3' ' NE2' ' B' ' 140' ' ' GLN . 44.7 mt-30 -105.05 105.89 16.13 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.593 -1.262 . . . . 73.13 107.593 168.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 115.86 16.5 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 124.961 1.304 . . . . 74.32 109.642 -173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.02 100.92 11.99 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.4 -0.593 . . . . 74.23 109.4 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.33 125.49 51.04 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.514 -0.921 . . . . 72.0 108.514 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -109.07 103.15 12.1 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.907 -0.775 . . . . 53.4 108.907 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.7 29.64 16.15 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.304 1.042 . . . . 73.42 113.087 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.89 46.18 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 116.56 -0.291 . . . . 75.23 113.437 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -141.55 114.89 8.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.854 0.862 . . . . 72.21 109.347 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' B' ' 149' ' ' GLN . 2.7 pp0? -65.25 156.25 32.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.08 0.552 . . . . 74.45 111.253 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.497 HD11 HD23 ' B' ' 167' ' ' LEU . 61.1 mt -99.85 141.83 32.14 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.521 0.729 . . . . 60.33 110.881 -176.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.669 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 43.6 mt-10 -87.42 127.83 35.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.684 -1.228 . . . . 72.04 107.684 163.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.15 -32.63 72.35 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.048 0.539 . . . . 72.31 110.985 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.6 5.43 78.22 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.384 -0.676 . . . . 71.42 114.109 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 8.1 tpt180 -91.58 173.65 7.77 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.084 0.942 . . . . 64.0 109.563 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.0 m -106.18 154.92 20.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.599 0.759 . . . . 75.21 109.15 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' B' ' 161' ' ' ILE . 4.5 mm? -62.34 -43.01 99.81 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.201 0.6 . . . . 72.21 110.867 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.3 t -63.19 -24.77 68.03 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.136 0.791 . . . . 63.33 113.136 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -54.07 -42.04 68.84 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.458 0.647 . . . . 74.53 110.56 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -90.53 -5.48 55.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.895 -1.048 . . . . 71.23 110.252 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 56.33 50.58 12.98 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 124.57 1.148 . . . . 62.11 109.972 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' B' ' 156' ' ' LEU . 14.0 mm -61.26 114.47 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 114.061 -1.427 . . . . 74.44 110.132 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -96.3 164.3 12.71 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-O 121.192 0.52 . . . . 70.44 109.763 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -60.44 128.67 37.84 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.51 -0.768 . . . . 70.2 109.567 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 73.68 25.66 1.99 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.559 1.144 . . . . 74.11 110.554 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' B' ' 145' ' ' PHE . 74.5 m -64.83 158.88 23.85 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 109.0 -0.741 . . . . 63.14 109.0 161.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -140.02 135.46 32.69 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.092 0.405 . . . . 52.15 111.52 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.497 HD23 HD11 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -113.08 136.59 52.53 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.915 0.886 . . . . 63.13 109.589 172.434 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.5 pt -96.52 124.08 49.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.071 0.938 . . . . 63.14 109.119 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.621 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 9.6 mp -81.93 103.26 11.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.549 -1.205 . . . . 75.3 109.282 171.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.56 161.47 14.35 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.586 -1.265 . . . . 65.51 107.586 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.09 150.53 47.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.796 0.725 . . . . 72.44 110.471 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.3 t . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 126.239 1.816 . . . . 73.01 114.345 -173.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.682 0.277 . . . . 62.22 110.801 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 25.6 t0 -78.47 -47.01 18.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.877 0.871 . . . . 63.14 111.163 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 14.0 pt20 -47.07 -48.82 22.45 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.283 1.033 . . . . 60.42 111.829 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . 0.716 ' HA ' HD21 ' C' ' 787' ' ' LEU . 17.7 ptmt -76.17 -42.66 45.8 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.747 -1.115 . . . . 62.01 110.618 -171.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.41 -54.67 44.04 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.1 0.875 . . . . 55.51 111.501 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.2 pt-20 -67.2 -30.89 70.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.726 0.641 . . . . 73.43 110.855 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . 0.482 ' HG2' ' HG ' ' C' ' 787' ' ' LEU . 6.3 tp10 -65.39 -43.86 89.34 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 123.415 0.447 . . . . 73.41 110.103 174.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 94.1 mt -65.68 -32.82 74.59 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.799 0.839 . . . . 62.54 110.801 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.4 -36.26 73.95 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.822 -0.807 . . . . 74.01 108.822 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -45.14 84.78 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.299 0.64 . . . . 72.42 110.404 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.558 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 33.0 m-85 -58.97 -42.79 90.76 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 123.508 0.505 . . . . 71.32 110.227 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -70.1 -26.66 64.08 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.063 -0.971 . . . . 72.33 111.24 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 80.8 m -67.5 -35.76 79.76 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.09 -0.707 . . . . 74.31 109.09 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.58 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 44.5 m-85 -63.5 -60.53 3.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 71.42 110.508 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.588 HD11 HD21 ' C' ' 777' ' ' LEU . 15.0 mt -64.42 -34.56 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 124.135 0.897 . . . . 74.04 111.796 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -75.46 -46.51 32.11 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.668 -0.493 . . . . 73.1 109.668 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.4 62.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.311 0.644 . . . . 71.11 111.883 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.7 ttt -73.31 -59.71 2.58 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.823 -1.177 . . . . 72.22 107.823 172.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.858 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 27.8 mt -71.9 -17.96 62.07 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.703 1.201 . . . . 74.25 113.13 -172.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 73' ' ' LEU . 6.1 t -69.93 -16.31 63.19 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.279 0.632 . . . . 64.31 111.583 -177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.561 ' ND2' ' HB3' ' A' ' 71' ' ' LEU . 2.4 p30 -127.2 -51.11 1.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.222 1.009 . . . . 74.12 109.204 173.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 8' ' ' VAL . 13.4 tp -82.59 64.75 7.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.442 1.497 . . . . 75.03 108.596 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -84.32 53.08 2.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.98 -1.009 . . . . 62.3 111.011 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 27.8 p 178.74 110.12 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.747 1.219 . . . . 74.22 109.854 176.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.8 156.6 18.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.655 0.382 . . . . 70.32 111.369 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.7 t -78.99 155.71 28.77 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 123.283 0.633 . . . . 74.34 109.724 169.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.423 ' O ' HD12 ' C' ' 770' ' ' LEU . 7.6 tp -63.25 -27.4 69.32 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.617 -0.719 . . . . 73.41 110.39 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.53 -43.46 62.31 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 118.224 0.466 . . . . 73.12 111.795 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -64.37 -61.33 2.3 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.808 0.843 . . . . 61.14 111.633 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -35.89 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 115.385 -0.825 . . . . 73.03 111.35 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.458 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 58.1 t80 -65.15 -51.63 60.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.474 0.71 . . . . 64.3 109.768 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -50.79 -46.9 59.85 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 124.205 0.941 . . . . 65.13 111.796 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . 0.541 ' SD ' HD12 ' A' ' 68' ' ' ILE . 30.5 mtm -65.71 -52.01 54.74 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.525 0.516 . . . . 72.24 111.279 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.588 HD21 HD11 ' C' ' 758' ' ' ILE . 6.4 mp -54.4 -36.51 64.02 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.018 0.437 . . . . 71.44 111.45 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.467 ' HA ' HG12 ' C' ' 781' ' ' VAL . 20.9 mmm180 -67.54 -49.9 61.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.137 -0.938 . . . . 64.31 111.468 177.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . 0.469 ' HG2' ' HA ' ' C' ' 776' ' ' MET . 11.6 ptm -58.72 -41.28 86.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 118.178 0.445 . . . . 72.12 110.203 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -71.97 -29.77 64.58 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.385 0.513 . . . . 70.44 112.385 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.2 p -81.01 -26.19 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 117.947 0.34 . . . . 74.14 111.835 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' C' ' 789' ' ' GLU . 21.6 m -92.9 -23.35 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 112.883 0.697 . . . . 64.31 112.883 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 4.7 p -65.22 -18.06 65.0 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.104 0.478 . . . . 71.32 111.541 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -136.5 178.28 18.95 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 109.999 -1.241 . . . . 70.44 109.999 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -58.64 -38.82 87.47 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.928 1.752 . . . . 65.15 111.081 167.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 42.19 -81.17 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.514 1.926 . . . . 72.13 114.412 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . 0.716 HD21 ' HA ' ' C' ' 747' ' ' LYS . 86.3 mt -140.18 29.95 2.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.291 1.037 . . . . 74.51 111.381 -176.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.29 33.13 20.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.283 1.033 . . . . 44.15 111.587 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' C' ' 782' ' ' VAL . 73.5 mt-10 69.76 118.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.651 1.581 . . . . 64.21 111.575 -171.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' C' ' 777' ' ' LEU . 11.6 pt -72.34 154.71 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.626 0.77 . . . . 63.12 110.563 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . 0.403 ' OD1' ' HG3' ' C' ' 793' ' ' GLN . 11.0 t70 -105.54 168.54 9.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.907 -1.042 . . . . 71.5 109.736 -168.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.43 -36.83 79.63 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.409 0.684 . . . . 62.33 111.709 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . 0.403 ' HG3' ' OD1' ' C' ' 791' ' ' ASP . 3.9 pp0? -76.83 -22.08 54.12 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.561 0.619 . . . . 73.4 110.887 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.36 -46.09 61.29 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.136 0.493 . . . . 71.22 109.769 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.458 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -63.2 -57.66 9.77 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.774 1.23 . . . . 75.01 109.405 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -57.72 -45.62 85.51 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 113.632 -1.622 . . . . 74.5 110.516 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.47 -39.47 96.36 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 124.096 0.873 . . . . 43.04 112.972 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.19 -53.32 56.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.939 0.896 . . . . 75.35 109.932 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 803' ' ' VAL . 66.1 mt -66.23 -40.82 90.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.122 -1.399 . . . . 35.53 111.995 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -44.07 94.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.495 1.118 . . . . 72.43 109.52 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -55.56 33.56 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.326 1.016 . . . . 72.24 109.855 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.4 mmtt -52.27 -44.73 65.1 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 123.988 0.805 . . . . 72.34 112.971 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 75.9 t -64.88 -46.34 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.868 0.467 . . . . 74.31 110.919 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -80.07 -6.34 57.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.321 0.648 . . . . 60.33 111.958 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.72 -8.14 56.44 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.328 1.051 . . . . 70.31 110.749 172.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 70.0 13.49 7.87 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.811 1.644 . . . . 72.44 111.352 -173.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -79.36 -42.93 24.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.516 1.126 . . . . 70.24 109.353 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.7 OUTLIER -122.34 148.2 45.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.26 1.024 . . . . 52.14 108.565 -172.273 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 52.6 t -106.9 124.25 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.438 0.695 . . . . 51.23 109.422 171.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . 0.425 ' HB2' HG21 ' C' ' 803' ' ' VAL . 17.9 t80 -97.21 114.15 25.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 106.909 -1.515 . . . . 64.22 106.909 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 44.4 m -90.35 -142.39 0.16 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 108.35 -0.981 . . . . 72.11 108.35 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.88 72.75 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.667 0.667 . . . . 55.24 110.731 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.82 76.74 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.599 -0.728 . . . . 65.34 113.884 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.41 157.09 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.096 0.558 . . . . 64.11 110.123 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -108.37 144.64 35.66 Favored 'General case' 0 C--O 1.25 1.082 0 C-N-CA 123.169 0.588 . . . . 70.01 110.758 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -156.18 139.04 15.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.556 -1.202 . . . . 74.21 109.426 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.858 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 3.1 tp -85.27 122.03 73.8 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.297 -0.631 . . . . 73.33 109.297 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--N 1.369 1.656 0 C-N-CA 121.989 1.793 . . . . 62.14 110.108 170.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 110.767 -0.933 . . . . 64.2 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.63 145.84 39.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.024 0.929 . . . . 63.42 109.328 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.598 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -109.0 125.82 52.46 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.696 -0.483 . . . . 72.3 109.696 -172.309 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 156.98 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 74.31 110.899 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.7 m-85 -106.92 118.98 38.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.897 0.879 . . . . 71.11 108.972 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.8 t -110.15 98.94 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 108.757 -0.831 . . . . 60.25 108.757 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.05 99.01 4.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.784 0.833 . . . . 71.35 109.588 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 169' ' ' LEU . 7.8 t -89.38 132.92 34.74 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 109.016 -0.735 . . . . 63.43 109.016 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.36 146.51 10.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.886 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.679 ' HB2' ' HB3' ' B' ' 109' ' ' GLN . 74.2 mt-30 -135.35 83.59 2.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.289 -1.374 . . . . 63.52 107.289 168.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HD1' ' HE ' ' C' ' 772' ' ' ARG . 9.7 t-105 -105.07 104.03 13.68 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 106.553 -1.647 . . . . 74.52 106.553 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -157.8 144.4 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.708 -0.678 . . . . 74.24 111.558 -163.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 ' HB3' ' B' ' 104' ' ' PHE . 1.8 m -88.86 122.67 32.48 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.808 -0.812 . . . . 71.44 108.808 174.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.26 133.02 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.236 . . . . 70.34 108.611 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -99.22 112.79 24.87 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.603 -0.517 . . . . 71.03 109.603 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.684 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -132.46 170.91 14.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.101 0.96 . . . . 64.4 109.356 -178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.26 149.34 26.98 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.408 0.623 . . . . 75.14 110.152 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -142.97 155.23 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.134 -1.394 . . . . 62.43 109.26 169.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mp0 -109.94 135.13 20.5 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.98 0.912 . . . . 65.42 109.672 -170.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 50.9 Cg_exo -56.03 -38.41 94.79 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.845 3.03 . . . . 73.11 114.481 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 m -82.37 -6.81 59.51 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.033 -0.53 . . . . 51.14 111.456 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB3' HD22 ' A' ' 25' ' ' ASN . 2.6 m-20 -81.36 151.93 27.74 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 122.705 0.402 . . . . 72.33 110.447 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -79.04 166.31 22.45 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.79 0.681 . . . . 63.54 111.389 173.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.759 HG21 ' HB3' ' A' ' 50' ' ' LEU . 39.5 mm -74.38 -28.62 22.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.773 -1.103 . . . . 74.01 110.106 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.98 -28.47 51.94 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.969 0.907 . . . . 74.21 111.536 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.511 HD22 ' HB3' ' A' ' 21' ' ' ASP . 87.1 m-20 -65.51 -50.52 64.95 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 124.124 0.97 . . . . 73.35 110.535 174.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.6 -41.87 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.604 0.762 . . . . 63.54 110.233 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG3' ' NE2' ' A' ' 41' ' ' GLN . 32.5 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.819 1.248 . . . . 73.11 110.54 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.84 -26.42 64.21 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 114.621 -1.172 . . . . 54.42 111.302 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -74.91 -42.6 57.47 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 122.842 0.457 . . . . 62.14 110.755 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.598 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.9 pt -69.31 -34.52 63.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 109.987 -0.375 . . . . 64.03 109.987 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.63 -39.54 80.74 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.596 0.236 . . . . 75.41 111.159 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.52 -50.52 58.37 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.578 0.751 . . . . 51.01 111.223 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 68.4 mmtt -80.5 -57.43 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.289 -0.869 . . . . 73.21 110.298 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 42.7 mm-40 -90.73 -24.14 20.48 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.165 0.586 . . . . 62.23 112.008 -168.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.14 36.09 36.35 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 112.198 -0.361 . . . . 64.22 112.198 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.598 HD12 ' HB ' ' A' ' 30' ' ' ILE . 90.3 mt -82.74 117.39 68.38 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.909 0.884 . . . . 71.31 109.127 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.8 Cg_endo -61.59 114.29 2.19 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.899 2.399 . . . . 74.41 111.579 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 10.1 Cg_endo -51.08 -40.48 59.47 Favored 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 124.123 3.216 . . . . 75.32 112.952 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.92 -38.71 86.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.361 -1.29 . . . . 73.03 112.223 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 20.1 mt-30 -97.51 4.97 50.25 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.452 0.701 . . . . 70.21 112.044 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -92.11 135.14 34.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.412 1.085 . . . . 75.22 110.669 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.8 76.89 1.75 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.365 1.066 . . . . 72.4 109.19 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 67' ' ' LEU . 39.9 mt -71.91 135.38 46.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.939 0.496 . . . . 71.21 109.943 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -132.48 121.4 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 108.407 -0.96 . . . . 70.5 108.407 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.0 t80 -109.71 116.22 31.3 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.286 1.034 . . . . 71.05 108.808 -173.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 20.56 6.19 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.922 0.889 . . . . 72.23 112.925 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 88.27 27.11 26.36 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.403 -0.362 . . . . 55.24 113.518 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -135.13 134.24 40.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.978 0.911 . . . . 64.31 110.06 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -81.45 133.2 35.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.345 0.658 . . . . 74.03 110.165 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 23' ' ' ILE . 3.4 mm? -78.12 105.93 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.301 1.04 . . . . 74.41 111.455 -173.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -78.58 124.61 28.35 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.874 0.87 . . . . 71.35 109.842 170.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.93 -44.1 78.03 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.316 -1.311 . . . . 75.24 112.804 -169.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.04 14.02 61.7 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 115.126 -0.943 . . . . 63.11 114.359 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -97.69 170.03 9.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.641 0.72 . . . . 53.12 109.118 175.132 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.8 p -101.55 168.72 9.31 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 121.041 0.448 . . . . 74.23 110.187 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 61' ' ' ILE . 3.8 mm? -66.44 -41.78 88.66 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 115.174 -0.921 . . . . 71.3 108.754 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -69.12 -29.96 68.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.504 0.322 . . . . 62.1 110.963 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.0 -31.08 68.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.545 0.738 . . . . 73.44 110.191 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -95.71 -3.36 46.11 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 114.777 -1.101 . . . . 74.44 111.513 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t30 52.18 50.38 18.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.249 1.019 . . . . 60.31 109.325 -175.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -64.77 98.61 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 114.121 -1.4 . . . . 73.24 108.059 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 19.0 pt20 -78.45 165.86 23.29 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.673 -0.694 . . . . 64.22 110.611 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.2 ttmt -68.51 135.42 51.57 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.377 -0.829 . . . . 73.3 109.889 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 37.9 mt-10 61.57 34.3 17.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.78 1.232 . . . . 75.34 111.937 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.49 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 8.1 t -85.4 167.26 15.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.298 -0.864 . . . . 75.53 109.411 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 139.44 50.15 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.55 0.69 . . . . 71.1 111.365 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 105' ' ' VAL . 44.1 tp -123.63 145.04 49.23 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.988 1.715 . . . . 71.02 107.673 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 7.5 tt -122.7 135.75 61.75 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 109.338 -0.616 . . . . 74.33 109.338 170.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -95.66 114.08 25.79 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.261 0.625 . . . . 63.5 109.413 173.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.5 mp -97.18 153.07 18.22 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.02 -1.845 . . . . 72.33 106.02 166.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -108.41 173.72 6.2 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 109.241 -0.651 . . . . 63.23 109.241 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -50.98 109.14 0.29 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.761 0.663 . . . . 62.13 110.44 173.142 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' C' ' 763' ' ' THR . 2.5 pt? -62.9 -16.5 59.22 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 124.132 0.895 . . . . 71.31 112.244 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 108.797 -0.816 . . . . 73.43 108.797 172.46 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.009 -0.836 . . . . 65.45 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.63 152.01 18.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.135 -0.691 . . . . 42.44 109.135 175.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 3.8 mm-40 -83.77 153.58 24.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.316 -0.994 . . . . 63.33 108.316 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.9 pt -143.46 157.84 16.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 123.652 0.781 . . . . 64.14 109.81 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HB3' HG22 ' A' ' 12' ' ' THR . 20.7 m-85 -116.7 107.66 14.95 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.73 -1.211 . . . . 63.33 107.73 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.684 HG13 HD21 ' A' ' 15' ' ' LEU . 16.0 m -101.06 123.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.058 0.456 . . . . 62.53 110.923 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 5.0 m-20 -83.28 97.99 9.18 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.735 -1.209 . . . . 74.3 107.735 175.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 t -93.88 140.42 29.71 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 115.475 -0.784 . . . . 65.52 110.37 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.94 117.16 54.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-N 114.276 -1.329 . . . . 64.53 107.664 171.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 9' ' ' GLN . 6.7 tp-100 -138.46 102.66 4.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.542 0.737 . . . . 72.13 109.531 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -107.61 132.83 52.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.563 0.745 . . . . 62.13 109.116 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -130.35 116.4 18.24 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.597 0.759 . . . . 75.22 110.349 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 m -81.32 111.32 17.59 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.135 -0.691 . . . . 60.1 109.135 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 48.1 mt -89.99 156.94 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 107.443 -1.317 . . . . 73.51 107.443 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 52.1 m -142.47 111.56 6.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.931 -0.766 . . . . 51.41 108.931 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.57 139.34 42.1 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.751 -0.659 . . . . 71.11 109.827 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 39.4 tt0 -81.68 141.65 33.42 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.234 -0.654 . . . . 74.11 109.234 174.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 12.3 p -142.64 164.67 16.96 Favored 'Isoleucine or valine' 0 C--O 1.247 0.936 0 C-N-CA 123.899 0.88 . . . . 64.13 108.831 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -105.95 151.59 40.07 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 123.286 0.634 . . . . 71.24 109.824 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.04 -32.57 43.71 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 122.573 2.182 . . . . 73.04 112.033 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.86 -10.66 59.24 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.178 0.591 . . . . 64.33 111.766 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.18 156.71 38.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.311 0.382 . . . . 71.21 110.307 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . 0.442 ' OG1' ' HG2' ' B' ' 124' ' ' GLU . 1.8 p -86.8 162.91 17.55 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.291 0.567 . . . . 55.31 110.758 169.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 30.3 mm -71.15 -21.59 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 CA-C-N 115.325 -0.852 . . . . 43.14 109.402 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' B' ' 127' ' ' LYS . 11.7 pt-20 -65.66 -16.44 63.74 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.759 0.824 . . . . 74.03 111.495 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.1 m-80 -59.4 -57.93 10.85 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.638 0.587 . . . . 74.14 109.489 165.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.49 -35.82 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.293 0.637 . . . . 74.34 110.159 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . 0.58 ' HB3' ' HA ' ' B' ' 124' ' ' GLU . 4.4 tmmm? -58.84 -49.62 77.06 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.332 1.053 . . . . 74.23 110.528 173.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.1 74.69 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.875 -0.602 . . . . 72.01 110.523 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.2 mmtp -71.45 -42.09 68.63 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.075 0.55 . . . . 64.5 111.285 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.4 -28.18 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 110.25 -0.278 . . . . 63.5 110.25 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.64 -33.44 53.57 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.317 0.647 . . . . 55.53 110.956 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.35 -50.4 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.668 0.787 . . . . 55.0 109.928 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -83.32 -54.75 4.76 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 114.919 -1.037 . . . . 52.04 112.198 -173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -91.12 -22.42 20.7 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.854 0.297 . . . . 72.25 110.48 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 82.86 26.27 46.14 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.97 -0.559 . . . . 73.5 112.881 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 59.3 mt -91.12 104.78 10.4 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 124.131 0.972 . . . . 73.32 110.085 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 50.6 Cg_exo -59.18 154.26 47.23 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.888 2.392 . . . . 61.32 112.743 172.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . 0.421 ' HD3' ' HD3' ' B' ' 127' ' ' LYS . 15.9 Cg_endo -53.74 -31.6 61.94 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 124.118 3.212 . . . . 70.32 113.003 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . 0.457 ' HB2' ' NE2' ' B' ' 140' ' ' GLN . 3.9 m-20 -54.45 -45.76 73.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.895 1.372 . . . . 75.23 112.064 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' B' ' 139' ' ' ASP . 0.0 OUTLIER -104.05 13.51 32.4 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.006 0.522 . . . . 74.11 112.39 -179.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -76.84 100.91 5.67 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 109.516 -0.55 . . . . 72.12 109.516 168.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.744 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 7.6 tpt180 -100.95 71.19 1.41 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 107.538 -1.282 . . . . 73.34 107.538 166.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 101.93 11.68 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 107.766 -1.198 . . . . 72.33 107.766 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -100.0 149.91 22.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.762 -0.829 . . . . 63.23 108.762 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -143.26 108.4 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.657 1.183 . . . . 52.14 107.868 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.61 23.84 13.6 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.812 0.845 . . . . 65.54 112.774 174.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.66 15.68 45.44 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.356 -0.384 . . . . 64.44 113.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -139.42 128.69 24.03 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.056 0.542 . . . . 64.4 110.126 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.55 161.18 28.48 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.013 0.925 . . . . 71.4 111.46 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.639 HD11 HD23 ' B' ' 167' ' ' LEU . 52.3 mt -115.92 117.94 31.56 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 123.703 0.801 . . . . 52.13 109.629 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . 0.521 ' HB2' ' HD3' ' B' ' 154' ' ' ARG . 4.7 mp0 -78.73 131.28 36.53 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.036 -1.098 . . . . 74.34 108.036 170.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . 0.576 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 11.2 p-10 -59.62 -30.34 68.63 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.085 0.554 . . . . 72.23 111.675 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.3 6.5 63.72 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 114.457 0.543 . . . . 73.34 114.457 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.521 ' HD3' ' HB2' ' B' ' 151' ' ' GLU . 0.9 OUTLIER -97.26 167.8 10.81 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 109.106 -0.702 . . . . 74.25 109.106 176.566 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 12.3 p -96.99 167.32 11.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.64 0.376 . . . . 50.53 110.84 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . 0.447 HD12 HG21 ' B' ' 161' ' ' ILE . 3.2 mm? -67.05 -38.72 86.34 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 108.82 -0.807 . . . . 73.42 108.82 172.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.1 t -66.47 -29.66 69.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.348 0.659 . . . . 74.4 111.657 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.23 -32.48 62.31 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.28 0.632 . . . . 75.53 111.289 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.19 -2.46 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.46 0.704 . . . . 73.55 110.914 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 59.7 t30 53.53 53.47 11.53 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.092 0.957 . . . . 75.13 109.735 -174.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.447 HG21 HD12 ' B' ' 156' ' ' LEU . 3.5 mm -64.12 111.58 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.562 -1.199 . . . . 72.03 109.681 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -87.52 165.7 15.31 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 121.647 0.737 . . . . 71.14 110.56 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -64.79 142.08 58.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 108.082 -1.081 . . . . 61.33 108.082 170.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.1 20.22 10.35 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.319 1.448 . . . . 74.43 112.268 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.0 m -54.88 126.16 23.19 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 118.566 0.621 . . . . 61.31 110.878 167.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -104.65 115.85 31.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.395 0.678 . . . . 73.13 109.658 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.639 HD23 HD11 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -118.23 151.61 37.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.541 1.137 . . . . 71.02 108.134 -174.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.0 tt -117.91 116.65 52.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-O 121.789 0.804 . . . . 74.32 110.19 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 57.3 tp -89.99 103.92 16.54 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.63 -1.168 . . . . 71.25 109.935 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 142' ' ' ARG . 71.5 mt -103.43 161.58 13.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.953 1.301 . . . . 71.55 109.597 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.94 140.8 37.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.947 -1.131 . . . . 75.05 107.947 164.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . 0.744 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 40.5 m . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 113.451 0.908 . . . . 72.34 113.451 -173.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 121.041 0.448 . . . . 50.15 110.207 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.26 -42.71 79.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.479 -0.782 . . . . 33.14 110.54 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.05 -56.18 13.86 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.136 1.374 . . . . 73.41 112.128 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.39 -36.37 81.18 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.711 0.632 . . . . 54.03 111.859 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.32 -55.62 32.59 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.055 0.847 . . . . 61.14 111.507 171.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.1 -24.59 67.48 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.096 -0.502 . . . . 72.22 111.037 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.61 -39.64 67.11 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.146 0.579 . . . . 72.33 109.726 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.59 -36.29 83.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.834 0.854 . . . . 63.42 110.323 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.2 -34.63 71.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.018 -0.992 . . . . 74.1 109.781 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.37 -34.35 65.54 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.001 0.92 . . . . 70.21 109.364 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.479 ' O ' HG13 ' C' ' 758' ' ' ILE . 12.4 m-85 -65.59 -39.6 91.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.975 -1.011 . . . . 72.02 109.829 171.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -72.79 -26.03 61.37 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 115.677 -0.692 . . . . 73.43 110.262 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 81.7 m -64.39 -39.82 94.61 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 108.917 -0.771 . . . . 63.14 108.917 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . 0.449 ' HA ' HD21 ' A' ' 70' ' ' LEU . 32.7 m-85 -59.21 -66.86 0.44 Allowed 'General case' 0 C--N 1.361 1.098 0 O-C-N 123.864 0.728 . . . . 74.32 110.311 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.487 HG23 HG21 ' C' ' 773' ' ' ILE . 13.4 mt -62.8 -36.62 76.26 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 O-C-N 124.197 0.935 . . . . 40.54 111.069 -166.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.74 -61.93 1.98 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.664 0.386 . . . . 71.33 110.184 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.512 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -65.2 -20.62 66.52 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.226 0.536 . . . . 71.31 111.155 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.562 ' HG2' ' HB2' ' C' ' 766' ' ' GLU . 25.5 ttt -74.53 -59.65 2.64 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 125.113 1.365 . . . . 53.42 109.925 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . 0.461 ' HB2' HD22 ' C' ' 817' ' ' LEU . 75.0 mt -61.29 -25.3 67.01 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 124.25 1.02 . . . . 74.52 112.213 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 73' ' ' LEU . 26.3 m -49.59 -32.58 13.04 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.657 1.583 . . . . 74.14 113.126 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -151.96 -28.73 0.17 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.042 0.537 . . . . 71.11 111.219 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . 0.477 HD12 ' HG3' ' C' ' 761' ' ' MET . 1.4 tm? -93.57 -72.51 0.6 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.383 1.073 . . . . 73.22 110.775 -167.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . 0.696 ' HG2' HG23 ' C' ' 773' ' ' ILE . 13.4 tp10 -85.25 42.77 0.96 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.768 -0.583 . . . . 74.33 112.466 -166.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 50.8 m -70.61 52.15 0.14 Allowed 'General case' 0 CA--C 1.57 1.736 0 C-N-CA 123.97 0.908 . . . . 62.24 112.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -122.79 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.636 1.174 . . . . 74.32 111.005 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 34.4 t -74.08 143.56 45.36 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.854 1.057 . . . . 44.33 113.854 -156.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' C' ' 773' ' ' ILE . 12.7 tp -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.838 -1.074 . . . . 52.43 110.565 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -53.99 -33.4 56.98 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.382 0.61 . . . . 74.45 110.736 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.48 ' HE ' ' HD1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -67.3 -66.45 0.56 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.519 -1.218 . . . . 75.33 111.208 -176.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.696 HG23 ' HG2' ' C' ' 766' ' ' GLU . 0.2 OUTLIER -60.25 -30.39 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-N 118.994 0.816 . . . . 71.2 111.269 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.28 -57.85 11.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.385 0.274 . . . . 64.44 110.439 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -69.44 -28.72 66.36 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.006 0.373 . . . . 64.05 112.006 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -61.77 -55.21 32.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.028 0.442 . . . . 61.13 110.155 171.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.433 HD21 HG12 ' C' ' 758' ' ' ILE . 1.0 OUTLIER -55.01 -38.37 67.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.654 1.581 . . . . 75.42 112.378 176.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -64.46 -43.74 93.29 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 123.664 0.785 . . . . 74.43 110.559 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -57.41 -47.18 82.41 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.689 -0.687 . . . . 61.04 110.605 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.32 -34.33 75.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.444 0.535 . . . . 72.01 112.444 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.448 HG11 HG12 ' C' ' 790' ' ' ILE . 6.2 p -79.08 -26.31 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.705 0.261 . . . . 70.44 111.705 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.05 -34.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 122.089 -0.382 . . . . 60.15 110.668 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.5 p -77.56 -26.19 50.72 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.054 0.455 . . . . 65.11 110.742 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.89 93.61 0.55 Allowed Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 108.743 -1.743 . . . . 72.12 108.743 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -70.65 11.56 0.48 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.38 2.72 . . . . 61.23 113.832 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.89 56.78 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.801 1.24 . . . . 74.22 112.989 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 68.2 mt -112.89 -5.12 13.86 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.315 0.646 . . . . 75.22 110.995 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.9 -67.75 0.14 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.63 1.572 . . . . 52.21 111.672 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -147.53 115.85 6.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.838 1.255 . . . . 71.54 108.911 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.448 HG12 HG11 ' C' ' 781' ' ' VAL . 31.7 pt -77.48 153.39 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.877 -0.786 . . . . 72.15 108.877 165.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' C' ' 793' ' ' GLN . 16.2 t70 -113.19 167.03 10.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.906 0.483 . . . . 54.53 109.915 -173.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.24 -54.18 49.71 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 123.667 0.787 . . . . 72.35 110.661 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . 0.414 ' HG3' ' OD2' ' C' ' 791' ' ' ASP . 0.0 OUTLIER -63.02 -32.91 74.38 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.996 0.369 . . . . 60.25 111.996 -175.376 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.08 -49.78 33.6 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.089 0.556 . . . . 53.45 111.899 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.85 -49.85 41.68 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.668 0.787 . . . . 73.11 109.393 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' C' ' 799' ' ' LEU . 54.0 tt0 -58.28 -46.58 85.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 71.22 111.211 171.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.19 77.18 Favored Glycine 0 N--CA 1.477 1.414 0 O-C-N 123.57 0.544 . . . . 62.32 113.837 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.43 ' O ' ' HG2' ' C' ' 802' ' ' LYS . 29.6 t80 -65.27 -52.63 53.09 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.956 0.902 . . . . 74.32 109.052 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 796' ' ' GLN . 12.1 mt -56.84 -39.8 74.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.734 1.214 . . . . 70.12 111.801 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -43.38 90.07 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.841 1.257 . . . . 63.44 109.776 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -52.6 65.0 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 108.525 -0.917 . . . . 73.34 108.525 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.1 mmtt -53.62 -46.31 70.42 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.023 0.827 . . . . 73.12 111.963 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.2 t -60.35 -49.64 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.368 0.667 . . . . 74.34 110.476 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -73.72 -9.41 58.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.676 . . . . 72.32 112.362 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -94.61 -1.33 53.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.77 0.828 . . . . 74.14 112.038 174.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.5 12.19 7.98 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.417 1.487 . . . . 72.42 111.107 -173.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -79.94 -24.76 40.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.175 0.99 . . . . 72.4 109.421 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.8 OUTLIER -134.53 146.77 50.0 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.593 1.157 . . . . 73.54 108.197 -178.511 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.71 119.73 60.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 C-N-CA 123.826 0.85 . . . . 72.43 108.869 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -93.23 106.63 18.57 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.089 -1.448 . . . . 62.52 107.089 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 37.4 t -89.53 -133.67 0.1 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.478 -0.934 . . . . 70.32 108.478 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.9 72.24 2.08 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.025 0.83 . . . . 60.14 111.128 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.62 23.62 77.56 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 116.234 -0.439 . . . . 72.24 112.561 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.28 150.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.201 0.6 . . . . 72.44 110.248 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.14 134.77 46.0 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 109.198 -0.667 . . . . 74.22 109.198 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 141.8 22.33 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.129 -0.941 . . . . 74.34 109.18 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' C' ' 762' ' ' LEU . 1.0 OUTLIER -86.46 127.16 61.96 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-N 118.017 0.371 . . . . 74.25 110.603 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.377 2.071 0 C-N-CA 122.626 2.218 . . . . 74.11 112.231 177.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.95 -0.46 . . . . 45.04 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.47 163.62 36.62 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.898 0.879 . . . . 71.45 109.275 -171.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.689 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 0.5 OUTLIER -99.89 159.45 15.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.745 -0.661 . . . . 72.45 109.326 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 115' ' ' LEU . 14.1 pt -135.72 162.15 37.44 Favored 'Isoleucine or valine' 0 C--O 1.247 0.943 0 C-N-CA 124.306 1.042 . . . . 63.42 108.878 174.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 23.0 m-85 -115.56 117.32 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.322 -0.853 . . . . 73.13 108.863 172.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 47.4 t -96.22 93.2 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.692 -1.225 . . . . 73.41 107.692 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 97.6 8.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.098 -0.956 . . . . 75.43 110.475 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -94.36 128.57 40.96 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.079 0.466 . . . . 72.33 110.421 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.98 141.09 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.894 0.878 . . . . 71.24 109.841 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -139.05 148.28 43.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.527 0.731 . . . . 74.22 109.654 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.402 ' HZ2' ' HE2' ' C' ' 761' ' ' MET . 23.1 m95 -94.28 118.88 32.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.542 -0.91 . . . . 72.53 108.542 170.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -127.86 113.17 15.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.829 0.347 . . . . 73.55 110.993 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 28.0 m -88.08 129.08 35.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.254 0.622 . . . . 73.13 110.15 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 mm -107.3 112.54 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.821 -0.807 . . . . 73.23 108.821 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' CD1' ' B' ' 104' ' ' PHE . 25.6 p -87.3 128.1 35.18 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.64 0.376 . . . . 74.53 110.746 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.07 170.08 16.58 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.82 0.848 . . . . 44.44 110.04 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 3.3 tm-20 -121.47 132.95 55.02 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 106.916 -1.512 . . . . 74.34 106.916 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG22 ' A' ' 26' ' ' VAL . 12.0 m -136.17 172.15 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.197 0.599 . . . . 63.1 111.502 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -104.63 155.03 38.03 Favored Pre-proline 0 N--CA 1.479 0.985 0 N-CA-C 108.728 -0.841 . . . . 74.41 108.728 173.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.85 -36.02 33.23 Favored 'Trans proline' 0 C--N 1.365 1.426 0 C-N-CA 122.326 2.017 . . . . 70.04 111.24 170.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 p -78.78 -11.25 59.98 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.417 0.687 . . . . 73.35 112.172 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.77 153.5 43.15 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.555 0.742 . . . . 74.54 110.171 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -82.72 157.3 23.35 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.645 0.736 . . . . 75.13 110.311 167.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.79 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.3 mm -69.06 -28.24 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.389 -1.278 . . . . 64.34 111.045 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.03 -18.88 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.052 0.541 . . . . 70.34 111.085 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 51.3 m-20 -66.0 -52.41 49.62 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.039 0.837 . . . . 63.41 109.424 169.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HG11 ' A' ' 17' ' ' VAL . 96.0 t -54.43 -49.06 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.319 1.048 . . . . 74.55 110.549 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -58.34 -48.56 80.16 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.893 -1.503 . . . . 71.35 111.008 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.57 66.05 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.615 -0.72 . . . . 34.52 111.501 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 71.1 mmtt -72.98 -46.49 52.0 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 122.835 0.454 . . . . 75.55 110.329 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.695 ' HB ' HD12 ' A' ' 36' ' ' ILE . 16.0 pt -69.77 -32.38 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 CA-C-O 120.789 0.328 . . . . 74.15 110.779 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.74 -35.46 80.17 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 123.415 0.686 . . . . 55.02 110.91 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.84 -49.01 64.55 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.56 0.744 . . . . 71.51 110.48 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.2 mmtt -75.49 -65.65 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.558 0.743 . . . . 71.21 110.881 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HB3' HG13 ' A' ' 36' ' ' ILE . 40.6 tt0 -90.27 -31.17 17.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.805 0.442 . . . . 74.32 111.031 -172.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 27.05 9.1 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.848 -0.615 . . . . 60.51 112.17 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.695 HD12 ' HB ' ' A' ' 30' ' ' ILE . 57.7 mt -65.6 112.76 9.4 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.103 0.961 . . . . 64.43 110.665 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 Cg_endo -70.13 111.27 2.84 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.215 2.61 . . . . 71.4 112.583 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 Cg_endo -57.97 -37.77 94.72 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.843 3.028 . . . . 61.35 114.128 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.67 -41.67 82.02 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 124.399 1.062 . . . . 73.12 112.39 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -11.13 30.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.178 -0.464 . . . . 63.43 111.75 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -78.73 143.54 36.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.873 0.869 . . . . 53.23 111.629 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -136.53 74.01 1.48 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.317 1.447 . . . . 61.5 107.148 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.91 121.17 17.63 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.618 -0.882 . . . . 53.4 108.618 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 15.7 mt -125.71 143.96 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.81 0.844 . . . . 70.22 110.681 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 50' ' ' LEU . 27.0 t80 -131.8 112.77 12.78 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.914 1.686 . . . . 61.44 109.419 -174.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.39 18.96 9.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.679 0.792 . . . . 71.14 112.171 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.99 59.01 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.638 -0.71 . . . . 60.22 113.936 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -122.52 112.56 18.18 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 107.649 -1.241 . . . . 52.42 107.649 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 34.8 tt0 -70.33 137.01 50.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.772 -0.649 . . . . 74.21 109.809 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.1 mm? -80.43 100.82 8.68 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 124.19 0.996 . . . . 52.21 108.789 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 11.9 mp0 -65.08 123.49 19.62 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.536 -1.283 . . . . 75.53 107.536 166.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.24 -36.87 78.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.969 0.508 . . . . 61.3 111.438 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 13.35 31.21 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.575 -0.569 . . . . 72.5 114.223 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.0 tpt180 -98.31 178.48 5.04 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.824 0.85 . . . . 72.35 109.222 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 57' ' ' SER . 19.7 m -108.94 150.72 27.31 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.306 -0.627 . . . . 71.43 109.306 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 23' ' ' ILE . 3.5 mm? -57.59 -40.07 78.2 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.477 -0.564 . . . . 74.33 109.477 175.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 55' ' ' THR . 44.2 t -62.76 -29.04 70.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.352 1.061 . . . . 74.12 113.182 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.09 -35.93 69.99 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.23 0.538 . . . . 63.31 110.786 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 61' ' ' ILE . 51.8 m-85 -93.36 -8.3 42.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.148 -0.933 . . . . 74.24 110.263 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 t30 48.72 56.61 7.38 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.705 1.202 . . . . 75.31 109.763 -168.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 59' ' ' TYR . 3.3 mm -62.22 111.52 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 113.995 -1.457 . . . . 72.22 109.322 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -81.84 -178.86 7.16 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.593 -0.73 . . . . 74.44 110.206 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.8 ttmt -79.01 144.1 35.03 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.573 -0.528 . . . . 75.21 109.573 170.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 40.2 mt-10 63.43 28.41 15.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.869 1.356 . . . . 74.44 111.576 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.9 m -60.89 118.22 6.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 115.44 -0.8 . . . . 44.2 109.546 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 120.51 31.42 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.906 -0.776 . . . . 73.04 108.906 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.83 162.91 16.98 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.942 -1.503 . . . . 62.12 106.942 174.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 tt -135.59 138.78 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-O 121.096 0.474 . . . . 52.2 110.322 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -79.97 118.7 21.95 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.347 -0.842 . . . . 70.14 109.828 170.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' C' ' 760' ' ' ALA . 64.7 mt -95.48 158.87 15.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 105.851 -1.907 . . . . 54.21 105.851 159.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' C' ' 764' ' ' ASN . 2.4 pt? -126.38 171.96 10.56 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.406 -0.59 . . . . 51.32 109.406 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.2 m -35.31 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.155 1.382 . . . . 73.43 114.266 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 tp -86.5 -33.47 20.32 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.801 -1.545 . . . . 72.12 108.761 167.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.147 -1.388 . . . . 74.14 109.897 -172.175 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.977 0 N-CA-C 111.024 -0.83 . . . . 71.52 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.441 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -157.56 154.26 28.26 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.46 0.704 . . . . 73.5 110.675 178.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . 0.81 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 19.4 mp0 -107.55 125.24 51.05 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.327 -0.99 . . . . 75.2 108.327 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.89 160.33 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.984 0.514 . . . . 64.14 110.436 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -120.17 105.7 11.23 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.514 -0.921 . . . . 70.13 108.514 -172.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.457 HG21 HG21 ' A' ' 30' ' ' ILE . 27.6 m -99.25 106.87 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 107.904 -1.147 . . . . 73.51 107.904 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 37.2 t0 -87.7 138.19 31.68 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.864 -1.062 . . . . 70.01 110.311 -170.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 69' ' ' LEU . 62.6 p -129.38 144.15 51.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.54 0.736 . . . . 64.24 111.308 -166.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -91.21 109.34 20.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.37 -0.974 . . . . 50.11 108.37 174.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -98.96 95.24 7.02 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.664 -0.698 . . . . 73.2 109.896 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -99.24 131.97 44.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.28 1.032 . . . . 75.41 109.194 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -132.77 144.33 50.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.763 1.225 . . . . 72.14 108.52 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 40.1 m -115.98 113.15 22.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.894 0.878 . . . . 75.31 109.814 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.595 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 40.5 mt -92.45 159.77 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 108.42 -0.956 . . . . 60.35 108.42 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 64.9 m -132.34 107.41 8.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.244 0.618 . . . . 62.44 109.761 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 3' ' ' ILE . 3.8 tt -117.9 138.73 51.94 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.686 1.194 . . . . 65.31 108.504 -172.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.689 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 26.2 mt-10 -102.98 117.39 34.48 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.337 0.589 . . . . 65.11 110.21 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.8 p -124.74 166.12 20.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 115.045 -0.98 . . . . 74.44 110.707 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -109.66 152.62 42.95 Favored Pre-proline 0 N--CA 1.476 0.847 0 N-CA-C 108.777 -0.823 . . . . 72.21 108.777 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.89 -32.6 54.79 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.185 1.923 . . . . 72.34 111.302 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 40.7 m -87.65 5.53 39.14 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.934 0.894 . . . . 74.03 112.392 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -82.34 153.24 25.88 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.566 -0.531 . . . . 74.15 109.566 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -82.75 165.75 19.65 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.52 -0.764 . . . . 70.25 109.604 165.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 154' ' ' ARG . 30.9 mm -64.3 -28.1 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 115.373 -0.83 . . . . 75.31 110.897 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.14 -28.21 62.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.482 0.713 . . . . 72.02 111.493 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 44.4 m-80 -62.31 -55.25 30.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.603 0.761 . . . . 62.11 110.161 174.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.68 -47.49 85.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 C-N-CA 124.27 1.028 . . . . 75.11 110.819 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.38 -38.6 81.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.033 -1.439 . . . . 65.11 110.951 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.67 61.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.968 -0.539 . . . . 55.53 110.89 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 70.7 mmtt -66.59 -56.76 9.26 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 118.237 0.471 . . . . 71.44 110.512 173.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 5' ' ' VAL . 7.9 pt -63.52 -29.39 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 120.853 0.359 . . . . 75.24 111.698 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.87 -42.77 85.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.762 0.825 . . . . 64.01 111.506 170.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.95 -38.35 85.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.015 0.526 . . . . 62.34 110.927 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -83.13 -45.66 13.68 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.951 -1.022 . . . . 64.33 112.735 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.3 -8.48 14.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.94 0.719 . . . . 62.33 112.94 -175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.97 23.2 62.08 Favored Glycine 0 N--CA 1.473 1.157 0 CA-C-O 119.859 -0.412 . . . . 62.13 113.262 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.73 112.25 23.31 Favored Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 109.253 -0.647 . . . . 54.13 109.253 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -58.26 130.76 39.34 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.666 2.244 . . . . 62.2 112.032 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.65 -44.32 49.12 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 124.214 3.276 . . . . 70.14 113.919 -168.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.77 -25.16 48.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.281 -0.872 . . . . 63.41 111.024 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -92.72 20.44 6.45 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.102 0.561 . . . . 73.2 111.48 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' GLN . . . . . 0.438 HE21 HD11 ' B' ' 169' ' ' LEU . 5.0 pt20 -136.59 130.7 32.73 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.466 0.651 . . . . 75.32 110.03 173.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 30.8 mtp-105 -106.89 110.1 22.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.672 1.189 . . . . 64.3 108.906 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -89.95 127.5 36.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.061 -1.089 . . . . 65.41 108.061 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.15 139.46 51.23 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.193 0.597 . . . . 73.13 109.921 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' PHE . . . . . 0.654 ' HB2' HD21 ' B' ' 150' ' ' LEU . 36.9 t80 -142.37 107.09 4.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.148 0.979 . . . . 62.24 109.065 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.86 36.48 27.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.297 0.998 . . . . 65.45 110.615 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.37 6.45 83.9 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.091 -0.959 . . . . 23.01 114.154 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -124.39 126.13 45.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.446 0.698 . . . . 73.14 110.074 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.09 139.48 56.21 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.918 0.487 . . . . 74.02 110.715 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.0 mm? -86.88 105.74 17.27 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.883 0.873 . . . . 55.2 109.193 175.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.67 132.42 44.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.353 1.061 . . . . 74.42 111.236 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -45.65 -57.01 4.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.679 1.591 . . . . 70.05 113.361 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -91.72 27.11 10.3 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.358 -0.837 . . . . 73.53 113.383 -176.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 154' ' ' ARG . . . . . 0.452 ' O ' HG12 ' B' ' 123' ' ' ILE . 63.5 ttt180 -113.67 160.6 18.44 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.522 -1.288 . . . . 74.2 107.522 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 12.1 m -103.4 148.43 25.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.358 0.503 . . . . 70.32 112.358 -163.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.6 -44.64 77.18 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.007 0.923 . . . . 60.02 110.567 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.5 t -61.84 -37.37 84.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.134 -0.939 . . . . 74.23 112.066 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.73 -34.27 71.17 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.0 0.813 . . . . 71.24 110.948 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 159' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' B' ' 154' ' ' ARG . 91.2 m-85 -92.6 -9.63 40.37 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.371 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.87 50.3 7.02 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.828 0.851 . . . . 71.35 110.648 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 161' ' ' ILE . . . . . 0.434 HG23 ' OG ' ' B' ' 165' ' ' SER . 1.7 mp -62.2 120.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.971 -0.751 . . . . 75.43 108.971 167.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -101.67 173.1 6.57 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.376 0.608 . . . . 71.22 109.803 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 163' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 164' ' ' GLU . 16.6 ptmt -62.72 139.07 58.65 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.818 -0.628 . . . . 63.25 109.399 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 164' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' B' ' 163' ' ' LYS . 7.1 pt-20 64.54 15.09 9.4 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.098 1.759 . . . . 63.01 112.745 -176.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 98.5 p -61.46 121.49 12.82 Favored 'General case' 0 C--N 1.368 1.387 0 CA-C-N 117.862 0.301 . . . . 74.12 110.38 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.56 126.89 35.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.343 0.657 . . . . 63.1 111.204 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' B' ' 145' ' ' PHE . 0.4 OUTLIER -122.45 131.14 53.72 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.896 -1.52 . . . . 72.34 106.896 175.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 168' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' C' ' 767' ' ' SER . 16.7 tt -94.1 116.61 35.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 122.184 0.992 . . . . 61.55 109.852 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 169' ' ' LEU . . . . . 0.438 HD11 HE21 ' B' ' 141' ' ' GLN . 44.2 tp -80.51 108.64 14.31 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.789 -1.551 . . . . 73.04 110.096 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.39 158.16 15.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.948 1.299 . . . . 73.1 109.209 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.28 174.46 8.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.492 0.717 . . . . 75.5 110.706 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.245 0 C-N-CA 125.043 1.337 . . . . 63.34 113.251 167.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.74 0.644 . . . . 74.44 112.74 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.8 -47.25 77.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.996 0.918 . . . . 54.44 112.105 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.74 -44.46 81.71 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.024 0.827 . . . . 73.11 111.497 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -69.32 -49.62 54.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.641 1.176 . . . . 74.21 109.865 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.95 -45.59 94.12 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.27 -1.332 . . . . 50.33 111.692 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.43 -27.65 59.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.098 -0.501 . . . . 60.14 109.706 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.85 -40.41 95.11 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.708 0.63 . . . . 62.51 110.043 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.92 -38.48 86.29 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.442 0.697 . . . . 70.23 110.683 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.08 -35.31 80.18 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.058 0.943 . . . . 74.3 108.876 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.5 -47.15 76.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.159 0.984 . . . . 45.25 109.725 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 754' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 44.3 m-85 -57.58 -35.21 70.08 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 109.559 -0.534 . . . . 71.53 109.559 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 755' ' ' TRP . . . . . 0.481 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 25.6 t-105 -72.98 -37.18 67.13 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.83 -0.623 . . . . 75.5 111.054 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.0 m -59.91 -39.39 85.27 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.496 -0.557 . . . . 43.53 109.496 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -65.63 0.62 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.841 -1.072 . . . . 74.33 110.917 171.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 758' ' ' ILE . . . . . 0.534 HD11 HD21 ' C' ' 777' ' ' LEU . 59.7 mt -60.18 -30.51 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 123.83 0.852 . . . . 70.55 111.915 -172.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -77.19 -48.32 17.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.731 0.412 . . . . 73.22 110.305 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 760' ' ' ALA . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -75.41 -17.73 60.11 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.886 0.474 . . . . 74.23 111.318 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 761' ' ' MET . . . . . 0.402 ' HE2' ' HZ2' ' A' ' 10' ' ' TRP . 20.4 ttt -74.12 -58.76 3.08 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.858 1.263 . . . . 75.34 109.93 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.76 -12.59 60.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.139 0.976 . . . . 61.31 112.323 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 -24.91 63.86 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.888 0.375 . . . . 54.4 110.93 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 764' ' ' ASN . . . . . 0.528 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.2 t30 -119.16 -53.5 2.25 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.643 1.177 . . . . 73.21 110.1 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 6.3 tp -82.49 58.13 4.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.753 1.221 . . . . 75.02 108.659 -172.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.87 76.06 6.56 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.46 -1.245 . . . . 53.44 112.638 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 767' ' ' SER . . . . . 0.504 ' HB2' HD13 ' B' ' 168' ' ' ILE . 22.6 m 155.23 123.4 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 127.414 2.285 . . . . 72.23 109.772 162.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.85 155.85 30.41 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.715 0.806 . . . . 73.32 111.723 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 769' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 45.9 t -59.52 148.85 31.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.138 0.575 . . . . 25.12 110.395 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.74 -34.57 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 108.375 -0.972 . . . . 74.24 108.375 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.75 -47.45 82.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.427 0.691 . . . . 73.34 111.306 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 772' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 75.9 mtt85 -59.75 -54.69 43.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.278 0.631 . . . . 73.02 111.248 -178.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 773' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 769' ' ' SER . 0.0 OUTLIER -63.61 -35.95 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.104 0.561 . . . . 74.11 110.715 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 774' ' ' TYR . . . . . 0.614 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 52.2 t80 -59.25 -48.36 81.91 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.297 0.639 . . . . 72.45 110.532 173.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -38.61 89.61 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.9 0.88 . . . . 75.31 110.657 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 84.6 mmm -60.88 -54.18 48.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.271 -0.877 . . . . 62.12 110.626 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 777' ' ' LEU . . . . . 0.534 HD21 HD11 ' C' ' 758' ' ' ILE . 9.2 mp -60.15 -29.86 68.93 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.756 0.822 . . . . 52.42 112.224 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 778' ' ' ARG . . . . . 0.46 ' HD2' HG22 ' C' ' 790' ' ' ILE . 9.2 mmm180 -66.57 -46.51 75.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.588 -0.523 . . . . 73.31 109.588 175.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -50.08 65.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.512 0.725 . . . . 72.44 109.9 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 780' ' ' PHE . . . . . 0.514 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 15.9 m-85 -66.0 -34.46 78.15 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.762 -0.653 . . . . 72.23 111.721 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 781' ' ' VAL . . . . . 0.606 HG11 ' H ' ' C' ' 790' ' ' ILE . 5.3 p -75.9 -37.11 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 111.724 0.268 . . . . 44.25 111.724 -178.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.9 m -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.021 0.378 . . . . 53.32 112.021 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 9.0 p -65.94 -19.4 65.85 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 111.954 0.353 . . . . 62.0 111.954 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.72 15.61 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 110.888 -0.885 . . . . 55.54 110.888 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.44 -41.31 50.17 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 121.855 1.704 . . . . 73.41 111.299 167.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 34.81 -92.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 126.713 2.005 . . . . 42.15 115.37 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.95 17.24 4.18 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.648 1.179 . . . . 71.21 109.593 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.95 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 126.227 1.811 . . . . 72.52 110.414 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.01 111.37 3.92 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.369 -1.345 . . . . 75.31 107.369 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 790' ' ' ILE . . . . . 0.606 ' H ' HG11 ' C' ' 781' ' ' VAL . 12.8 tt -72.21 131.86 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.631 0.772 . . . . 75.2 109.133 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -116.33 164.09 15.04 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.783 -0.644 . . . . 64.04 110.725 -169.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.2 -31.52 70.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.067 0.947 . . . . 74.14 112.326 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -54.16 -57.74 9.98 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.116 0.96 . . . . 55.13 109.724 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.3 -33.46 67.41 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 113.088 -1.869 . . . . 73.13 110.514 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 795' ' ' LEU . . . . . 0.614 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -67.65 -59.43 3.34 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.782 0.833 . . . . 62.31 109.894 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -66.13 -26.88 67.65 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.846 -0.616 . . . . 72.14 110.302 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.24 81.16 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 123.933 0.771 . . . . 32.22 112.36 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 798' ' ' TYR . . . . . 0.481 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 4.4 t80 -66.14 -51.92 53.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.524 0.73 . . . . 71.21 109.385 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.65 -36.41 84.16 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.445 -0.798 . . . . 75.44 111.175 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.02 -50.48 72.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.404 0.682 . . . . 74.1 109.95 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 801' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' C' ' 805' ' ' ASP . 17.1 tptm -57.63 -54.83 42.42 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.382 1.051 . . . . 75.23 110.426 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 802' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' C' ' 808' ' ' LEU . 72.7 mmtt -58.74 -35.68 73.11 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 113.025 0.75 . . . . 73.33 113.025 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.52 -43.93 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.128 0.571 . . . . 64.54 110.287 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -77.13 -8.6 57.78 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.141 0.576 . . . . 74.2 111.814 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 805' ' ' ASP . . . . . 0.453 ' HB2' ' HE2' ' C' ' 801' ' ' LYS . 34.3 t70 -99.11 -8.96 24.45 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.514 1.125 . . . . 62.4 111.377 173.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 64.62 19.83 11.95 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 125.076 1.35 . . . . 63.35 111.889 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -87.47 -17.83 31.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.466 1.106 . . . . 64.13 110.556 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 808' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' C' ' 815' ' ' TYR . 1.0 OUTLIER -120.94 146.23 46.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.106 0.962 . . . . 73.11 109.853 174.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.6 t -105.83 134.3 47.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 125.236 1.415 . . . . 64.21 108.825 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.44 106.69 18.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.713 -1.217 . . . . 75.13 107.713 171.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 811' ' ' SER . . . . . 0.594 ' HB2' HG23 ' C' ' 814' ' ' VAL . 74.0 m -85.94 -145.54 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 N-CA-C 109.046 -0.724 . . . . 73.22 109.046 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.31 75.46 0.73 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.596 0.635 . . . . 70.01 110.876 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.92 19.67 78.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 116.481 -0.327 . . . . 54.32 113.557 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 814' ' ' VAL . . . . . 0.594 HG23 ' HB2' ' C' ' 811' ' ' SER . 18.2 m -134.49 154.8 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.878 0.871 . . . . 70.13 110.551 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 815' ' ' TYR . . . . . 0.423 ' HB3' HD12 ' C' ' 808' ' ' LEU . 24.4 m-85 -104.32 146.87 28.19 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.544 0.738 . . . . 72.42 110.429 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -159.53 157.56 30.18 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.327 1.017 . . . . 72.31 111.138 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 1.3 mp -81.66 125.75 77.47 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 122.481 0.312 . . . . 64.53 111.552 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 C--N 1.378 2.094 0 C-N-CA 122.714 2.276 . . . . 75.21 112.294 172.628 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 110.76 -0.936 . . . . 45.03 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 148.15 48.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.008 0.433 . . . . 74.4 110.112 -177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.624 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 16.6 mp0 -91.62 161.21 15.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 73.22 110.095 -174.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -138.98 146.61 25.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.956 0 CA-C-O 121.473 0.654 . . . . 73.22 109.323 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 16.0 m-30 -100.95 116.79 33.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.659 -1.237 . . . . 74.32 107.659 172.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.66 ' HB ' HD11 ' B' ' 169' ' ' LEU . 17.3 m -107.14 102.49 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 122.106 0.955 . . . . 72.22 109.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' HB2' HG22 ' B' ' 168' ' ' ILE . 2.4 m-20 -78.12 102.34 7.46 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.377 -1.283 . . . . 74.35 110.033 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 t -89.14 110.41 21.15 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.726 -0.842 . . . . 50.54 108.726 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.7 43.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 115.199 -0.91 . . . . 72.52 109.826 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HB3' ' HZ3' ' A' ' 11' ' ' LYS . 48.4 mt-30 -118.84 84.15 2.14 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.418 -0.956 . . . . 63.34 108.418 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.463 ' HB2' HD11 ' C' ' 765' ' ' LEU . 32.0 t-105 -99.0 103.29 15.23 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 106.383 -1.71 . . . . 62.31 106.383 169.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB3' HD21 ' B' ' 171' ' ' LEU . 26.5 pttm -160.54 155.4 24.2 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.248 0.342 . . . . 74.45 111.435 -173.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 5.5 m -99.4 137.4 37.95 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.803 -0.635 . . . . 74.2 110.242 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.22 158.19 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 107.644 -1.243 . . . . 74.12 107.644 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.0 m -125.55 132.39 52.58 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.658 0.663 . . . . 71.02 109.944 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -136.93 170.93 15.28 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.004 1.322 . . . . 72.25 108.341 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 32.5 tt0 -113.4 159.53 19.36 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 109.358 -0.608 . . . . 74.23 109.358 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.39 163.42 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.431 0.692 . . . . 73.14 110.798 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -108.87 153.8 42.2 Favored Pre-proline 0 N--CA 1.484 1.251 0 C-N-CA 123.659 0.784 . . . . 75.42 109.783 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.39 -30.57 36.33 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 123.038 2.492 . . . . 51.25 113.182 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 p -84.84 -10.17 57.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.071 0.948 . . . . 63.11 111.812 -174.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' HB3' HD22 ' A' ' 25' ' ' ASN . 2.3 m-20 -71.87 153.93 41.57 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.336 -0.616 . . . . 74.13 109.336 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.28 163.81 20.47 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.222 0.609 . . . . 72.32 110.411 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.6 mm -67.18 -32.97 60.04 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-N 115.015 -0.993 . . . . 60.44 110.699 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -32.79 63.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.769 -1.105 . . . . 74.31 110.327 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 HD22 ' HB3' ' A' ' 21' ' ' ASP . 33.7 m-20 -69.52 -39.0 77.79 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 124.003 0.921 . . . . 65.53 110.783 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 47.4 t -65.39 -51.16 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.48 0.712 . . . . 64.13 109.881 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 38' ' ' PRO . 45.8 pttt -67.49 -33.7 75.63 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 115.535 -0.757 . . . . 72.21 110.441 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.09 78.09 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.012 0.525 . . . . 62.15 111.931 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 18.9 ptmt -79.99 -32.83 39.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.506 0.322 . . . . 73.33 110.958 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 36' ' ' ILE . 26.4 pt -72.38 -33.1 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 109.899 -0.408 . . . . 74.31 109.899 172.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.17 -42.76 99.44 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.979 0.512 . . . . 75.2 111.338 170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.95 -50.86 53.41 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.79 0.836 . . . . 73.24 110.9 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -78.58 -62.19 1.77 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.115 -0.948 . . . . 74.53 111.039 -175.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.14 -13.73 32.45 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.244 0.461 . . . . 61.15 112.244 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.89 31.76 52.22 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 112.119 -0.392 . . . . 72.01 112.119 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 30' ' ' ILE . 96.5 mt -84.42 108.23 13.85 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.143 0.977 . . . . 74.41 109.509 178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.475 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 73.9 Cg_endo -74.21 115.09 4.2 Favored 'Trans proline' 0 CA--C 1.558 1.708 0 C-N-CA 121.876 1.717 . . . . 73.35 110.537 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 25.4 Cg_endo -60.17 -44.01 31.75 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.691 2.927 . . . . 63.21 115.209 -165.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -85.84 -27.6 24.99 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 115.85 -0.614 . . . . 65.54 111.154 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . 0.9 OUTLIER -75.38 -28.66 59.59 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.21 1.004 . . . . 62.33 110.878 174.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -125.78 93.66 3.9 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 108.115 -1.069 . . . . 74.44 108.115 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 42' ' ' ARG . 11.4 ptm180 -76.39 128.84 35.64 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.366 1.466 . . . . 74.23 111.059 -171.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.659 ' HB3' HD11 ' A' ' 67' ' ' LEU . 12.6 mt -97.01 139.47 32.97 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.883 0.873 . . . . 73.51 110.531 -170.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 49' ' ' GLN . 75.1 mt -132.66 118.96 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 109.236 -0.653 . . . . 74.15 109.236 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.692 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.5 t80 -108.11 118.59 37.15 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.842 0.857 . . . . 71.41 108.855 -171.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.81 17.1 4.95 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.04 0.936 . . . . 52.04 112.694 174.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.65 26.1 14.01 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 114.27 0.468 . . . . 61.51 114.27 -178.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -141.04 137.61 33.06 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 117.23 0.515 . . . . 72.12 111.286 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 44' ' ' ILE . 76.6 mt-30 -75.1 139.8 43.02 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.878 0.871 . . . . 65.34 110.129 176.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.879 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.7 mm? -92.75 123.96 36.4 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.991 0.916 . . . . 41.12 111.514 -169.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.65 128.39 38.49 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.079 0.952 . . . . 74.2 110.21 169.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -51.06 -41.7 60.08 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 125.565 1.546 . . . . 74.34 113.018 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.66 -12.14 66.73 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 114.518 -1.219 . . . . 75.34 114.532 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.4 163.57 14.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.134 0.574 . . . . 75.22 109.65 -175.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 55.2 p -95.78 173.93 7.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.75 0.42 . . . . 72.35 110.278 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.43 -42.92 91.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.292 -0.633 . . . . 61.02 109.292 173.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.4 t -65.53 -25.77 67.59 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.708 -0.678 . . . . 53.12 111.905 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.52 -38.55 69.37 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.829 0.852 . . . . 65.15 111.145 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . 3.5 m-85 -99.05 -6.12 29.08 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.661 0.784 . . . . 74.23 109.692 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.65 63.48 1.67 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.729 1.212 . . . . 75.12 110.654 -172.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.8 mp -67.75 99.88 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 108.636 -0.875 . . . . 72.35 108.636 168.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.0 -172.89 3.3 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.276 -0.875 . . . . 61.14 109.132 170.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.7 ttpp -93.38 150.56 20.37 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 121.8 -0.563 . . . . 73.55 110.968 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 61.94 21.19 12.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.885 1.674 . . . . 71.3 111.855 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -71.38 151.34 44.18 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.19 0.596 . . . . 50.21 111.417 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.38 132.06 54.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.412 0.625 . . . . 71.32 111.533 -175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' ' 43' ' ' LEU . 59.2 tp -113.3 135.93 53.31 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.583 1.553 . . . . 75.2 107.706 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.5 tp -98.39 137.46 25.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 N-CA-C 109.123 -0.695 . . . . 53.44 109.123 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.712 HD22 HG22 ' B' ' 107' ' ' THR . 11.2 mp -107.48 111.0 23.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.378 -0.828 . . . . 72.42 109.11 174.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 mt -101.61 125.85 48.33 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 108.237 -1.023 . . . . 71.5 108.237 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' HG ' HG13 ' B' ' 108' ' ' VAL . 48.7 mt -70.9 169.3 15.06 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 119.008 0.822 . . . . 70.41 111.239 175.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -38.42 110.33 0.13 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.206 1.402 . . . . 72.12 113.063 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' C' ' 760' ' ' ALA . 31.4 tp -103.07 -65.04 1.02 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.018 0.927 . . . . 74.33 109.211 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.256 1.42 0 CA-C-N 114.515 -1.221 . . . . 63.24 107.97 -172.433 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 CA-C-O 120.261 -0.188 . . . . 62.3 113.072 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.522 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -102.71 145.48 29.63 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.906 0.482 . . . . 62.41 109.777 -175.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 12.5 mp0 -104.81 128.64 53.04 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.049 -0.723 . . . . 75.42 109.049 -174.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.1 pt -119.22 167.35 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.08 0.552 . . . . 73.54 110.935 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 13.0 m-85 -116.06 125.56 52.59 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.124 0.97 . . . . 73.51 108.59 -176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.557 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -111.64 115.18 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.584 0.629 . . . . 73.33 109.46 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 68' ' ' ILE . 8.5 t70 -90.3 103.67 16.32 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 109.214 -0.662 . . . . 61.11 109.214 -171.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.712 HG22 HD22 ' A' ' 69' ' ' LEU . 61.1 p -92.62 135.97 33.63 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 125.138 1.375 . . . . 75.13 112.639 -171.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 71' ' ' LEU . 2.4 p -112.34 124.56 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.352 1.061 . . . . 41.31 109.238 163.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -138.3 101.5 4.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.973 0.909 . . . . 75.33 109.0 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -106.91 134.64 49.75 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.852 0.861 . . . . 70.45 109.057 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -144.26 138.8 28.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.223 1.009 . . . . 73.11 109.392 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -101.77 118.98 38.04 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.542 0.737 . . . . 73.23 109.238 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 20.3 mt -94.43 158.57 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 108.606 -0.887 . . . . 73.01 108.606 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.7 m -131.28 122.27 26.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.16 -0.682 . . . . 71.01 109.16 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.97 170.33 14.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.42 -0.955 . . . . 64.31 108.42 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 40.1 tt0 -117.92 144.73 45.22 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.738 -0.838 . . . . 74.12 108.738 169.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.2 167.1 20.77 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 123.361 0.665 . . . . 74.54 109.333 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -106.63 150.8 40.07 Favored Pre-proline 0 N--CA 1.47 0.569 0 N-CA-C 109.308 -0.627 . . . . 71.24 109.308 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -66.13 -28.4 48.68 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.467 2.111 . . . . 71.44 111.462 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 14.9 m -80.96 -15.29 56.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.184 -0.916 . . . . 75.35 112.073 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -79.0 159.73 27.51 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.931 0.396 . . . . 75.12 110.881 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -85.21 163.15 18.86 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.386 -0.824 . . . . 73.24 110.527 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.594 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 45.8 mm -68.43 -28.56 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.397 -0.82 . . . . 71.01 110.587 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -21.42 66.01 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.134 0.574 . . . . 71.32 111.696 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.4 t-20 -64.6 -54.75 27.03 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.651 0.781 . . . . 45.2 109.377 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.01 -40.33 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 123.737 0.815 . . . . 73.4 110.59 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' B' ' 138' ' ' PRO . 20.4 ttmt -54.53 -55.09 32.81 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 114.686 -1.143 . . . . 73.54 110.495 174.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.21 71.09 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.357 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 29.1 mmtp -65.59 -57.87 7.12 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.981 -0.533 . . . . 64.13 110.904 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.6 pt -60.37 -35.35 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 CA-C-O 121.268 0.556 . . . . 72.34 111.132 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 8.8 tt0 -72.3 -28.51 63.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.696 1.199 . . . . 63.0 111.559 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.79 -48.94 12.75 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.804 0.442 . . . . 63.43 110.322 174.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 75.1 mmtt -60.29 -61.51 2.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.159 -0.928 . . . . 72.41 111.514 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' B' ' 136' ' ' ILE . 29.7 mt-10 -117.45 6.88 12.63 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.079 0.399 . . . . 73.32 112.079 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 67.55 25.97 73.77 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-O 119.467 -0.629 . . . . 42.33 112.523 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.476 HD12 ' HB ' ' B' ' 130' ' ' ILE . 55.5 mt -68.29 106.34 1.31 Allowed Pre-proline 0 C--N 1.361 1.069 0 N-CA-C 108.843 -0.799 . . . . 71.3 108.843 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 136' ' ' ILE . 1.1 Cg_endo -82.19 121.81 3.59 Favored 'Trans proline' 0 C--N 1.368 1.572 0 C-N-CA 122.418 2.079 . . . . 70.14 110.146 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.434 ' HB3' ' HG3' ' B' ' 127' ' ' LYS . 34.5 Cg_endo -59.22 -39.37 79.12 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 122.809 2.339 . . . . 73.34 112.448 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.85 -29.49 69.41 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.453 -1.249 . . . . 74.44 111.415 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.19 -20.56 19.13 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.671 0.789 . . . . 72.14 110.81 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -153.21 97.57 2.18 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.934 -0.765 . . . . 75.23 108.934 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.36 144.17 28.2 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.14 0.576 . . . . 74.3 110.278 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.509 ' HG ' ' HG ' ' B' ' 169' ' ' LEU . 3.2 mp -83.48 146.58 28.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.777 0.431 . . . . 74.25 110.262 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -125.02 144.31 50.46 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.883 0.873 . . . . 63.21 109.599 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.621 ' HB2' HD21 ' B' ' 150' ' ' LEU . 11.3 t80 -141.46 104.51 4.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.663 1.185 . . . . 54.5 108.561 -176.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 55.81 27.63 11.17 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.365 1.066 . . . . 60.32 112.052 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.38 17.66 45.22 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-N 116.422 -0.354 . . . . 60.1 113.484 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -133.27 133.68 42.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.215 0.606 . . . . 73.32 110.832 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.85 135.18 38.87 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.413 0.685 . . . . 71.35 109.388 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.2 mm? -81.02 105.57 12.34 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.423 -0.954 . . . . 75.22 108.423 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.681 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 32.9 mt-10 -75.68 128.06 34.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.835 -1.172 . . . . 74.15 107.835 174.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.594 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.8 p-10 -65.29 -25.34 67.59 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.817 0.673 . . . . 75.2 112.817 -169.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -73.62 -10.58 79.86 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 115.35 -0.841 . . . . 51.31 113.933 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.681 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 21.8 mmm180 -85.74 177.81 7.55 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.366 0.583 . . . . 72.12 109.94 -177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' B' ' 158' ' ' ASP . 26.1 m -110.97 158.1 19.16 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.728 0.811 . . . . 73.21 109.375 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.409 HD22 HD13 ' B' ' 123' ' ' ILE . 4.0 mm? -63.3 -46.47 86.57 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.959 0.409 . . . . 60.21 110.186 176.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.5 t -64.24 -27.61 69.17 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.083 -0.508 . . . . 75.55 111.822 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' B' ' 155' ' ' THR . 15.6 t70 -58.58 -31.86 68.42 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.602 0.761 . . . . 65.53 111.36 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.4 ' HE2' ' HB2' ' B' ' 154' ' ' ARG . 89.0 m-85 -96.79 -6.92 35.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.131 0.572 . . . . 65.23 111.396 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.68 57.06 5.02 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.046 0.939 . . . . 72.52 109.353 -174.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 6.2 mm -70.41 126.6 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.576 -1.193 . . . . 73.44 110.083 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -94.81 158.27 15.57 Favored 'General case' 0 C--O 1.255 1.357 0 CA-C-O 121.32 0.581 . . . . 73.1 110.519 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -64.48 136.29 56.91 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 116.019 -0.537 . . . . 72.11 109.625 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 67.88 19.85 9.41 Favored 'General case' 0 CA--C 1.553 1.088 0 O-C-N 124.884 1.365 . . . . 72.15 111.572 -178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 13.7 t -60.69 129.02 39.45 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 123.179 0.592 . . . . 64.44 111.79 175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.95 41.73 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.106 0.563 . . . . 61.43 111.497 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.32 128.77 38.44 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.534 1.134 . . . . 74.13 108.159 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.417 HG22 ' HB2' ' A' ' 6' ' ' ASP . 29.5 pt -101.39 119.04 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-O 121.517 0.675 . . . . 64.11 110.326 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.66 HD11 ' HB ' ' A' ' 5' ' ' VAL . 5.7 mp -77.07 112.6 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.967 0.507 . . . . 72.03 110.221 176.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.3 156.97 16.1 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.56 -0.904 . . . . 72.53 108.56 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 11' ' ' LYS . 6.8 mp -67.53 163.33 21.35 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 109.759 -0.46 . . . . 73.12 109.759 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 8.6 t -44.42 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 113.849 1.055 . . . . 72.35 113.849 -172.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.65 72.42 1.08 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.098 -0.955 . . . . 73.12 108.438 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--O 1.256 1.431 0 C-N-CA 125.908 1.683 . . . . 64.21 113.706 167.669 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 112.123 -0.391 . . . . 63.12 112.123 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 46.7 t -133.83 131.68 39.52 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.493 -0.928 . . . . 62.14 108.493 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -143.73 -45.49 0.27 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.55 0.74 . . . . 72.04 111.822 -174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 52.5 p -79.36 -6.47 56.85 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.277 0.631 . . . . 73.01 112.373 -172.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -83.82 80.48 9.13 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.598 0.713 . . . . 74.34 110.284 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 35.0 m -150.96 -36.02 0.14 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.835 1.254 . . . . 73.13 108.996 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 88.03 -171.51 40.86 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 115.303 -0.862 . . . . 70.04 112.427 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 26.3 mtp -138.18 106.49 5.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.257 0.623 . . . . 61.03 110.025 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -130.4 -16.1 3.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.295 1.038 . . . . 73.2 111.234 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 62.54 23.36 13.88 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.751 1.62 . . . . 74.14 113.071 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -173.85 -61.5 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.441 0.696 . . . . 63.03 109.95 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.12 62.51 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.023 -0.99 . . . . 72.43 112.61 -174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.32 -60.0 4.01 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.033 0.833 . . . . 43.33 110.693 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 11.5 pt20 -55.39 -45.3 76.61 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 124.346 1.029 . . . . 74.42 110.162 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 43.3 mtpt -61.47 -56.23 22.39 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 124.264 0.977 . . . . 64.11 111.049 -172.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.11 -45.63 68.37 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 124.411 1.069 . . . . 64.4 110.857 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.91 -30.77 68.27 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 124.092 0.87 . . . . 64.23 111.626 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' C' ' 786' ' ' ALA . 72.8 mt-10 -69.59 -46.73 65.65 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.957 0.903 . . . . 74.34 109.046 177.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 17.0 mt -69.83 -33.39 72.24 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.033 0.833 . . . . 63.25 110.38 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.43 -37.34 74.38 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.472 -0.936 . . . . 74.2 108.472 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.73 -44.37 97.04 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.806 0.691 . . . . 70.25 110.351 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.602 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 20.9 m-85 -61.35 -37.56 83.77 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.503 0.668 . . . . 74.53 110.628 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.514 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 36.7 t-105 -75.42 -25.83 57.85 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 114.743 -1.117 . . . . 63.34 110.563 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 90.8 m -68.03 -36.32 79.73 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.073 -0.714 . . . . 44.23 109.073 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.602 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 47.1 m-85 -62.13 -66.33 0.55 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 123.582 0.552 . . . . 73.34 109.781 171.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.439 HD11 HD11 ' C' ' 777' ' ' LEU . 37.8 mt -66.18 -33.67 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.972 0 O-C-N 124.173 0.921 . . . . 34.31 112.147 -166.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -66.01 -58.65 5.04 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.244 -0.65 . . . . 74.13 109.244 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 73' ' ' LEU . . . -64.37 -27.81 69.27 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.672 0.789 . . . . 74.4 112.049 -177.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.468 ' SD ' HG22 ' C' ' 773' ' ' ILE . 26.1 ttt -66.8 -58.85 4.23 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 114.37 -1.286 . . . . 72.34 108.207 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 3.5 mm? -71.41 -14.72 62.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 113.551 0.945 . . . . 54.13 113.551 -178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 69.2 m -61.51 -25.75 67.47 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.509 0.723 . . . . 71.24 111.133 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -130.05 -46.67 1.12 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.56 0.744 . . . . 71.43 109.798 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.565 HD23 HD23 ' C' ' 768' ' ' LEU . 8.4 tp -87.63 57.77 4.56 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.58 1.552 . . . . 51.23 108.454 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.82 59.08 3.02 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.329 1.051 . . . . 55.21 113.469 -169.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 16.0 m 173.9 105.41 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 125.937 1.695 . . . . 74.11 108.665 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.595 HD11 HD21 ' C' ' 762' ' ' LEU . 1.7 pp -163.86 143.94 8.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.854 0.462 . . . . 54.32 111.252 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.4 m -65.47 152.69 43.36 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 123.115 0.566 . . . . 50.05 110.472 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.75 -39.25 65.18 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 123.863 0.727 . . . . 70.23 109.126 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.31 -30.66 68.51 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.628 0.771 . . . . 73.14 112.833 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -69.63 -57.31 5.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.578 0.351 . . . . 62.23 110.335 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.468 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.7 pp -67.86 -24.15 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.779 -0.646 . . . . 70.13 111.053 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.456 ' CD2' HD13 ' C' ' 795' ' ' LEU . 21.5 t80 -66.21 -49.13 68.34 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.986 -0.746 . . . . 73.52 108.986 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -60.81 -40.5 92.94 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.156 0.91 . . . . 71.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -52.7 43.04 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.727 0.642 . . . . 74.42 111.452 178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.543 ' HB2' HD11 ' C' ' 795' ' ' LEU . 8.4 mt -57.84 -40.12 79.31 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 123.019 0.199 . . . . 72.51 110.495 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.454 ' HA ' HG12 ' C' ' 781' ' ' VAL . 38.5 ttt-85 -69.96 -36.68 75.42 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.95 0.781 . . . . 74.34 111.093 -177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.5 -55.85 27.06 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.338 0.655 . . . . 70.15 109.583 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -78.06 -9.29 59.07 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.889 -0.596 . . . . 70.41 112.487 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.521 HG11 HG12 ' C' ' 790' ' ' ILE . 0.5 OUTLIER -87.57 -36.25 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 110.196 -0.298 . . . . 72.41 110.196 173.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.71 -31.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 119.688 -0.196 . . . . 72.4 111.373 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 15.0 p -63.41 -29.1 70.45 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.898 0.38 . . . . 74.22 111.829 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -120.76 -172.85 14.69 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.5 -0.773 . . . . 74.1 111.831 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -85.04 15.05 2.3 Favored 'Trans proline' 0 CA--C 1.554 1.507 0 C-N-CA 123.194 2.596 . . . . 62.1 113.275 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.453 ' O ' HG22 ' C' ' 781' ' ' VAL . . . -49.96 106.08 0.11 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.47 1.108 . . . . 71.44 112.219 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . 0.472 HD22 HG22 ' C' ' 790' ' ' ILE . 5.7 mp 55.3 13.64 0.92 Allowed 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.356 1.462 . . . . 43.34 113.831 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.47 36.98 28.23 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.642 0.777 . . . . 72.53 111.11 -172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 75.46 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.551 1.94 . . . . 74.13 111.481 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.521 HG12 HG11 ' C' ' 781' ' ' VAL . 6.0 pt -71.51 -171.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.062 1.345 . . . . 74.15 111.884 175.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -139.33 172.07 13.36 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.346 1.058 . . . . 73.33 109.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.43 -61.12 2.17 Favored 'General case' 0 C--O 1.206 -1.213 0 C-N-CA 125.037 1.335 . . . . 62.15 110.464 173.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -32.91 64.48 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.934 0.771 . . . . 55.02 111.474 -173.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.87 -52.27 26.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.627 0.771 . . . . 62.44 110.492 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' C' ' 777' ' ' LEU . 1.6 tt -74.21 -52.06 13.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 122.919 0.488 . . . . 63.34 110.168 -174.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -52.67 -47.05 67.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.855 0.862 . . . . 60.02 111.371 170.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.64 -27.68 71.36 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.775 0.672 . . . . 54.03 113.737 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.514 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 24.8 t80 -66.75 -50.99 60.95 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.595 0.758 . . . . 55.25 109.256 175.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.414 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.2 mm? -59.6 -44.67 93.31 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.986 0.804 . . . . 63.14 110.939 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 0.7 OUTLIER -56.24 -49.06 75.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.533 1.133 . . . . 73.51 110.261 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.79 -57.55 11.56 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.247 0.967 . . . . 73.21 108.815 175.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -47.56 -43.52 25.3 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.461 0.912 . . . . 64.52 113.461 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.414 HG23 ' O ' ' C' ' 799' ' ' LEU . 95.3 t -66.6 -43.98 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 121.433 0.635 . . . . 72.3 110.467 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 11.2 mpt_? -74.5 -13.09 60.64 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.312 -0.858 . . . . 73.24 112.157 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -95.54 -9.09 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.192 0.997 . . . . 71.24 110.42 171.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.74 19.24 10.75 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 125.109 1.364 . . . . 64.25 111.455 -175.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -5.45 56.94 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 124.828 1.251 . . . . 74.1 111.01 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.53 142.98 50.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.759 0.824 . . . . 71.13 108.812 169.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.4 t -105.64 123.51 60.11 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 C-N-CA 124.356 1.062 . . . . 74.12 108.201 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.5 107.78 19.57 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.348 -1.353 . . . . 65.22 107.348 173.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.633 ' HB3' HG13 ' C' ' 814' ' ' VAL . 22.8 t -80.7 -154.67 0.1 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 108.754 -0.832 . . . . 75.25 108.754 171.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.22 76.11 0.71 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.075 0.852 . . . . 73.23 111.56 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.84 77.8 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.678 -0.692 . . . . 52.22 112.537 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.7 p -144.65 135.02 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 N-CA-C 108.899 -0.778 . . . . 75.24 108.899 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.82 148.73 22.01 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 123.4 0.68 . . . . 72.5 112.703 -173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' C' ' 762' ' ' LEU . 15.6 ptt180 -161.76 150.22 15.36 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.266 -1.334 . . . . 73.42 109.696 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 0.7 OUTLIER -74.65 141.92 76.65 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 111.677 0.251 . . . . 75.45 111.677 -179.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -66.63 83.12 0.3 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.828 2.352 . . . . 52.1 110.478 166.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -13.4 61.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.658 -1.155 . . . . 64.45 110.86 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -118.68 141.66 48.4 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 125.218 1.407 . . . . 73.43 108.25 167.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.98 -41.67 59.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.13 0.572 . . . . 74.11 110.559 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 C--O 1.25 1.106 0 C-N-CA 123.785 0.834 . . . . 63.22 109.157 179.564 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.87 -0.492 . . . . 62.31 111.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -100.36 147.13 26.15 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.873 -0.788 . . . . 50.03 108.873 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 17.3 mp0 -92.76 160.31 15.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.997 -0.547 . . . . 52.43 110.351 -171.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 115' ' ' LEU . 13.9 pt -139.99 158.47 26.31 Favored 'Isoleucine or valine' 0 C--O 1.256 1.419 0 C-N-CA 123.983 0.913 . . . . 51.13 108.682 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 22.0 m-85 -119.53 112.68 19.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 107.577 -1.268 . . . . 72.51 107.577 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.691 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 98.5 t -93.93 91.81 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.476 -1.305 . . . . 54.3 107.476 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -83.11 95.93 8.23 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.276 -0.875 . . . . 75.01 110.508 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -91.65 139.42 30.71 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 122.697 0.399 . . . . 72.31 110.036 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.421 ' HB ' ' HE3' ' B' ' 110' ' ' TRP . 7.7 p -129.72 118.65 45.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.91 -0.774 . . . . 74.23 108.91 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 89.7 mt-30 -103.23 81.99 2.01 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.319 -0.993 . . . . 73.13 108.319 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.605 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 70.3 t-105 -98.56 106.1 18.33 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 107.698 -1.223 . . . . 73.3 107.698 173.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -161.38 139.82 9.61 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 123.79 0.681 . . . . 72.24 109.711 -171.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 21.1 m -85.3 122.76 29.94 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.561 0.745 . . . . 74.24 109.678 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mm -99.69 151.24 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.577 -0.898 . . . . 74.42 108.577 -176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.438 HG22 ' CD1' ' B' ' 104' ' ' PHE . 20.7 p -107.82 134.63 50.49 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.844 0.458 . . . . 64.22 110.569 176.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD21 HG13 ' B' ' 105' ' ' VAL . 1.8 pt? -149.63 172.41 15.1 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.642 0.777 . . . . 74.31 109.319 173.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 30.9 tt0 -121.34 146.8 46.48 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.689 0.396 . . . . 43.01 110.122 171.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG11 HG22 ' A' ' 26' ' ' VAL . 12.1 m -130.78 173.74 14.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 124.575 1.15 . . . . 50.13 110.955 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.782 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 35.0 mm-40 -110.52 154.89 42.87 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.805 0.842 . . . . 53.4 109.034 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.34 -38.76 19.32 Favored 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 122.159 1.906 . . . . 64.34 112.385 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -89.3 -0.2 57.28 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.85 -0.614 . . . . 64.02 111.475 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.782 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 23.0 t70 -75.76 154.21 36.48 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.541 1.136 . . . . 70.3 107.935 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -91.26 164.68 13.79 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.989 0.9 . . . . 64.4 111.254 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.74 HG21 ' HB3' ' A' ' 50' ' ' LEU . 22.6 mm -74.52 -19.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 CA-C-N 114.746 -1.115 . . . . 64.32 109.616 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.81 -25.35 67.19 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.817 0.847 . . . . 70.44 110.605 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 45.0 m-80 -69.18 -53.35 20.5 Favored 'General case' 0 C--O 1.205 -1.271 0 N-CA-C 108.532 -0.914 . . . . 72.53 108.532 173.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG22 HG11 ' A' ' 17' ' ' VAL . 20.9 t -51.12 -42.27 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 123.842 0.857 . . . . 73.55 110.867 176.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.56 -53.91 52.61 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 125.519 1.528 . . . . 73.24 110.929 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.48 63.17 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 114.943 -1.026 . . . . 65.5 111.7 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 4.4 mptp? -72.69 -54.51 8.81 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.569 1.148 . . . . 74.54 109.243 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.668 ' HB ' HD12 ' A' ' 36' ' ' ILE . 25.9 pt -68.34 -25.95 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 123.254 0.346 . . . . 71.4 110.869 -178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.69 -49.61 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.036 0.534 . . . . 72.41 111.087 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.23 -43.07 99.47 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.967 0.889 . . . . 75.14 110.829 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 3.6 mmmp? -82.37 -73.38 0.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.763 -1.562 . . . . 64.41 110.926 -174.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.502 ' HB2' HG13 ' A' ' 36' ' ' ILE . 26.6 mm-40 -88.13 -9.57 52.77 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.874 0.47 . . . . 73.42 111.283 -167.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 28.35 54.84 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 116.309 -0.405 . . . . 74.31 113.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.668 HD12 ' HB ' ' A' ' 30' ' ' ILE . 54.6 mt -80.58 113.51 40.28 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.519 0.728 . . . . 72.45 110.053 -176.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 28.1 Cg_endo -62.12 119.4 6.49 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.926 2.417 . . . . 64.31 112.352 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 9.8 Cg_endo -53.88 -44.97 44.48 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 124.085 3.19 . . . . 74.3 114.027 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.53 -33.66 74.2 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.457 -0.792 . . . . 72.22 111.544 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.51 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 21.6 mt-30 -110.71 18.98 19.1 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.741 0.816 . . . . 74.14 111.927 -169.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.484 HE21 HG22 ' A' ' 36' ' ' ILE . 2.4 pt20 -114.53 150.86 34.27 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.613 -0.514 . . . . 73.15 109.613 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 35.4 mtp85 -132.79 101.03 5.11 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 107.116 -1.439 . . . . 75.23 107.116 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 50' ' ' LEU . 21.4 mt -85.56 121.09 27.75 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 109.334 -0.617 . . . . 64.25 109.334 -172.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mt -129.04 130.7 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 118.207 0.458 . . . . 73.42 111.165 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -111.51 99.94 8.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.941 1.296 . . . . 73.24 109.034 178.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.51 31.56 15.11 Favored 'General case' 0 CA--C 1.555 1.136 0 O-C-N 123.971 0.795 . . . . 72.24 112.546 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.99 17.06 33.54 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.239 0.855 . . . . 61.32 115.239 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -117.37 141.12 48.71 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.13 0.965 . . . . 73.34 111.271 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 120.67 28.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.902 0.881 . . . . 72.41 110.17 176.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.74 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -86.96 106.34 17.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.363 0.665 . . . . 74.51 110.623 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.6 118.26 9.26 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.683 -0.858 . . . . 53.31 108.683 162.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.581 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 10.2 p-10 -59.78 -33.88 72.29 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.14 0.576 . . . . 65.23 111.767 -175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.1 22.21 16.23 Favored Glycine 0 CA--C 1.535 1.293 0 CA-C-O 119.901 -0.388 . . . . 74.31 113.604 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' HG12 ' A' ' 23' ' ' ILE . 59.3 ttt180 -115.33 171.12 7.9 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.096 -1.075 . . . . 70.34 108.096 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -100.39 159.24 15.29 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 119.431 1.014 . . . . 50.21 111.189 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 61' ' ' ILE . 3.7 mm? -61.15 -43.99 98.02 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.011 0.82 . . . . 71.13 109.684 175.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -67.51 -25.91 66.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.881 0.697 . . . . 75.31 112.881 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.75 -18.28 64.19 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.727 0.299 . . . . 72.41 110.436 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.24 -9.43 19.57 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.022 0.529 . . . . 64.31 111.843 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 t30 59.47 64.49 1.33 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.239 1.016 . . . . 72.01 110.667 -172.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 HD12 ' A' ' 56' ' ' LEU . 1.7 mp -67.44 109.79 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 108.732 -0.84 . . . . 61.14 108.732 170.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -79.83 164.26 23.75 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 108.754 -0.832 . . . . 74.44 108.754 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -71.81 143.9 49.34 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 122.253 -0.279 . . . . 70.3 110.289 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.77 29.41 18.01 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.673 1.189 . . . . 74.53 111.907 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -80.72 143.41 32.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.15 0.58 . . . . 74.32 111.077 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.1 106.66 18.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.335 0.654 . . . . 42.15 111.647 -172.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.552 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.7 tt -96.77 126.47 41.95 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 106.803 -1.554 . . . . 64.01 106.803 172.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 tt -99.2 131.46 46.43 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 CA-C-N 118.871 0.759 . . . . 73.54 109.623 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.627 HD12 ' HB ' ' B' ' 107' ' ' THR . 62.2 mt -99.73 107.7 19.85 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.633 -1.167 . . . . 72.14 108.914 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 5.2 mp -94.89 114.63 26.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 107.634 -1.247 . . . . 74.21 107.634 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.37 168.33 19.42 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 109.385 -0.598 . . . . 74.44 109.385 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -32.4 97.89 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.093 1.757 . . . . 71.22 113.581 -179.183 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.4 tp -91.87 -90.84 0.17 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 107.557 -1.275 . . . . 74.22 107.557 171.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.597 -1.26 . . . . 73.12 107.597 175.03 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 111.612 -0.595 . . . . 74.23 111.612 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.39 148.47 46.05 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.536 0.735 . . . . 64.31 109.768 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -84.91 164.18 18.52 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.415 -0.811 . . . . 73.44 110.517 -173.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -148.72 156.37 8.17 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 C-N-CA 123.997 0.919 . . . . 60.41 109.858 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.438 ' CD1' HG22 ' A' ' 14' ' ' THR . 18.4 m-30 -116.36 105.79 12.92 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.413 -1.267 . . . . 72.01 108.693 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 67' ' ' LEU . 27.1 m -99.8 107.99 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 121.877 0.846 . . . . 71.3 111.013 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 46.3 t0 -84.99 100.34 11.59 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.86 0.864 . . . . 61.24 109.917 -173.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.627 ' HB ' HD12 ' A' ' 69' ' ' LEU . 9.6 t -103.1 146.33 28.55 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.506 0.722 . . . . 74.22 112.266 -171.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.605 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.2 p -116.92 128.29 74.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 115.707 -0.679 . . . . 64.23 110.459 161.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -117.97 93.52 4.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.164 -0.925 . . . . 73.34 109.319 167.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . 0.421 ' HE3' ' HB ' ' A' ' 8' ' ' VAL . 40.3 t-105 -86.06 129.31 34.88 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.378 -0.971 . . . . 70.11 108.378 171.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -144.48 133.7 22.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.651 1.181 . . . . 54.21 108.774 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -97.97 116.19 29.68 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.579 0.751 . . . . 72.25 109.079 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.691 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 31.1 mt -91.61 154.63 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.96 -1.126 . . . . 52.01 107.96 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.0 p -122.47 131.5 53.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.542 -0.911 . . . . 60.01 108.542 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 3' ' ' ILE . 3.5 tt -139.87 148.01 41.46 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.477 -1.675 . . . . 63.31 106.477 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.5 tt0 -117.65 125.6 51.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.118 -1.067 . . . . 70.42 108.118 169.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.6 p -132.21 170.94 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 123.109 0.564 . . . . 72.21 109.622 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.405 ' HB2' ' OD1' ' B' ' 121' ' ' ASP . 41.6 mt-10 -120.18 147.34 44.58 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.449 0.7 . . . . 75.45 109.606 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.49 -36.41 97.61 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 123.107 2.538 . . . . 72.43 113.458 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.5 m -79.87 -10.3 59.76 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.952 -0.567 . . . . 75.41 112.401 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' B' ' 118' ' ' GLU . 3.8 m-20 -81.29 158.63 24.7 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.361 0.265 . . . . 75.03 110.467 178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -87.65 171.54 10.38 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 124.154 0.982 . . . . 64.42 111.194 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 33.6 mm -78.26 -23.1 13.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.507 -0.77 . . . . 64.04 110.16 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.07 -25.57 65.49 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.705 0.802 . . . . 73.1 111.619 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 48.9 m-80 -61.33 -56.58 18.87 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 123.824 0.703 . . . . 62.1 109.552 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.07 -42.19 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 123.976 0.91 . . . . 62.12 110.657 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -56.44 -53.08 61.6 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.339 1.056 . . . . 70.32 110.83 174.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.43 74.1 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.393 -0.821 . . . . 32.25 111.338 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.7 mmtp -75.98 -40.8 53.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.04 0.536 . . . . 73.42 111.56 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 31.6 pt -72.36 -29.58 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.157 0.435 . . . . 72.41 110.049 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.24 -38.45 71.96 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.326 0.65 . . . . 63.35 110.864 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.67 -52.15 19.35 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.516 -0.766 . . . . 51.54 110.585 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -81.03 -56.01 4.39 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 114.839 -1.073 . . . . 63.31 111.214 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.64 -11.2 29.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.852 0.461 . . . . 71.22 110.969 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.31 28.96 67.0 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 123.118 0.262 . . . . 72.34 113.181 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.466 HD13 HD21 ' B' ' 169' ' ' LEU . 78.9 mt -87.75 118.15 69.38 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.797 0.839 . . . . 61.03 110.493 -176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 27.2 Cg_exo -64.9 131.16 28.05 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.49 2.127 . . . . 64.13 111.414 172.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.1 Cg_endo -45.07 -43.72 15.65 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.265 3.31 . . . . 75.12 113.945 173.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.19 -33.01 74.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 114.4 -1.273 . . . . 72.52 111.617 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.769 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 17.0 mt-30 -91.88 -6.34 51.68 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.358 0.663 . . . . 72.03 112.317 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 136.42 33.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.62 1.168 . . . . 75.33 110.695 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 172' ' ' THR . 0.4 OUTLIER -134.05 87.24 2.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.041 0.936 . . . . 74.0 108.935 165.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 5' ' ' VAL . 10.1 mt -81.01 105.13 12.0 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.992 -0.549 . . . . 73.23 109.56 172.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.61 139.01 35.9 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 108.683 -0.858 . . . . 63.11 108.683 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.501 ' HB2' HD21 ' B' ' 150' ' ' LEU . 29.9 t80 -131.77 102.34 5.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.425 -0.954 . . . . 72.05 108.425 177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 51.76 37.98 21.82 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.082 0.953 . . . . 64.22 111.976 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.28 -16.1 61.69 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-O 119.009 -0.884 . . . . 64.11 114.581 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.3 OUTLIER -107.18 121.99 45.63 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 118.649 1.225 . . . . 73.1 110.218 178.154 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -75.15 139.27 42.59 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.548 -0.538 . . . . 71.53 109.548 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.625 HD23 ' HB3' ' B' ' 143' ' ' LEU . 2.5 mm? -77.25 114.71 16.35 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.662 0.785 . . . . 65.14 109.116 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.432 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 2.7 tm-20 -84.5 130.39 34.76 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.69 -0.856 . . . . 75.51 108.69 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -43.45 -56.95 3.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.922 1.689 . . . . 61.4 113.826 -172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -88.04 16.05 53.22 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 116.016 -0.538 . . . . 42.03 114.092 -174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 6.8 mtt180 -105.88 164.2 12.13 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.213 1.005 . . . . 70.41 108.752 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 36.9 p -96.36 165.64 12.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.689 0.757 . . . . 74.12 111.53 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.12 -37.32 78.28 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.901 -1.499 . . . . 61.15 109.745 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.3 t -65.07 -37.53 87.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.49 0.716 . . . . 63.35 111.088 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.39 -27.72 68.73 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.94 0.775 . . . . 74.21 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -100.24 -2.98 32.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.611 0.764 . . . . 62.43 111.566 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.93 61.27 3.3 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.51 1.124 . . . . 72.23 110.23 -176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 4.6 mm -77.0 116.63 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 115.125 -0.943 . . . . 73.0 109.543 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -86.16 156.06 20.5 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 121.283 0.564 . . . . 65.22 110.189 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 19.6 ptmt -60.66 139.69 57.75 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.739 -0.837 . . . . 65.03 108.739 170.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 8.7 pt-20 59.7 23.21 12.04 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.065 1.746 . . . . 64.12 112.575 -175.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 60.6 p -58.38 141.25 51.91 Favored 'General case' 0 C--N 1.369 1.435 0 N-CA-C 111.586 0.217 . . . . 63.3 111.586 170.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.59 118.49 36.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.707 0.403 . . . . 51.2 109.937 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.509 HD23 HD21 ' B' ' 150' ' ' LEU . 0.5 OUTLIER -122.68 126.83 48.37 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.481 -1.674 . . . . 73.32 106.481 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 17.1 pt -91.23 132.8 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.778 -0.823 . . . . 65.34 108.778 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.603 HD13 ' HG ' ' B' ' 143' ' ' LEU . 37.4 tp -105.83 97.43 7.26 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 107.669 -1.234 . . . . 75.01 107.669 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 16.0 tp -94.93 155.44 16.75 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.171 -1.377 . . . . 54.33 108.82 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.67 156.27 39.22 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 108.056 -1.09 . . . . 73.54 108.056 171.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.769 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 12.5 t -48.08 89.94 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 122.569 1.176 . . . . 75.32 113.239 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.2 mp -158.07 -158.1 0.7 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.329 1.852 . . . . 71.32 107.482 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 108.397 -0.964 . . . . 54.43 108.397 169.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.205 0 N-CA-C 111.552 -0.619 . . . . 55.41 111.552 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 20.5 m -79.44 92.13 5.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.227 0.611 . . . . 74.01 110.621 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.1 -13.21 61.15 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.527 0.731 . . . . 71.31 111.341 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 15.2 t -70.54 1.07 5.59 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.043 0.937 . . . . 64.1 112.196 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.22 138.47 55.6 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.281 0.632 . . . . 74.41 110.165 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 62.0 m -145.88 28.2 1.15 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.56 0.744 . . . . 63.1 110.365 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -67.92 112.52 4.79 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 119.302 -0.721 . . . . 64.13 112.611 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 26.4 ptm -150.83 152.06 33.2 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 117.537 0.668 . . . . 40.15 112.124 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -170.44 18.6 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.865 1.266 . . . . 73.51 111.035 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 50.0 m 59.66 22.69 11.44 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.372 1.469 . . . . 52.25 112.732 -170.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -168.8 -47.92 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.479 0.712 . . . . 74.42 110.537 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.93 78.75 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.065 -0.516 . . . . 61.03 111.044 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.527 ' HB3' ' HA ' ' C' ' 740' ' ' MET . 0.4 OUTLIER -49.74 -63.82 0.99 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.806 1.317 . . . . 73.15 112.061 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.508 ' HG3' ' HG3' ' C' ' 747' ' ' LYS . 8.4 pt20 -54.91 -50.05 69.73 Favored 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.685 1.241 . . . . 73.41 110.778 -173.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.508 ' HG3' ' HG3' ' C' ' 746' ' ' GLN . 93.4 mttt -63.33 -47.06 83.79 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.134 0.573 . . . . 63.33 111.13 -173.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -50.77 -56.06 13.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.49 1.119 . . . . 73.13 111.495 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.0 pt-20 -76.16 -32.1 58.89 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.819 -0.628 . . . . 71.13 111.233 -169.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.41 -52.39 47.09 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.533 -0.914 . . . . 73.44 108.533 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 5.4 mp -56.39 -43.93 79.77 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 124.226 0.954 . . . . 65.54 110.425 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.32 -36.99 85.73 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 123.974 0.796 . . . . 71.52 110.589 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -73.82 -40.71 63.14 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.735 0.814 . . . . 72.32 110.339 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.527 ' O ' HG13 ' C' ' 758' ' ' ILE . 38.7 m-85 -59.21 -42.22 90.46 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.661 0.785 . . . . 64.23 109.342 171.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.478 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 18.1 t-105 -64.84 -38.37 90.75 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.397 -1.274 . . . . 72.25 110.647 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 68.5 m -61.03 -36.56 79.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.249 0.62 . . . . 61.43 110.186 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.52 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 39.7 m-85 -59.45 -57.69 11.86 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.822 -0.626 . . . . 71.44 110.808 169.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.53 HD11 HD21 ' C' ' 777' ' ' LEU . 10.2 mt -65.88 -24.0 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 123.917 0.761 . . . . 75.51 111.525 -172.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -66.56 -61.68 1.86 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.153 -0.684 . . . . 75.31 109.153 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.403 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -66.82 -25.07 66.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.085 0.554 . . . . 32.03 111.449 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.753 ' SD ' HD22 ' C' ' 765' ' ' LEU . 35.0 tpp -60.77 -59.19 5.78 Favored 'General case' 0 C--O 1.197 -1.691 0 C-N-CA 124.307 1.043 . . . . 75.1 109.168 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.66 HD22 ' HA ' ' C' ' 816' ' ' ARG . 95.5 mt -77.77 -13.18 59.97 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.353 0.661 . . . . 60.44 112.331 -175.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 22.4 m -73.48 -21.58 60.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.079 0.951 . . . . 52.11 111.285 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' B' ' 108' ' ' VAL . 50.2 m-80 -121.76 -51.18 2.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.814 0.446 . . . . 73.31 109.892 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.753 HD22 ' SD ' ' C' ' 761' ' ' MET . 10.4 mp -82.94 60.03 5.2 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.501 1.12 . . . . 62.3 109.744 171.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.91 84.47 2.84 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.036 -0.984 . . . . 64.42 109.168 175.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 69.8 m 127.22 105.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 128.389 2.676 . . . . 70.45 108.703 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.675 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 0.4 OUTLIER -156.83 158.36 36.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.073 0.949 . . . . 64.02 109.955 175.099 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.9 t -70.02 158.06 36.35 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 120.535 0.207 . . . . 62.44 110.796 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.07 -37.67 80.58 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.703 0.801 . . . . 74.2 109.768 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.8 -32.24 67.37 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.204 0.602 . . . . 73.11 112.145 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 98.3 mtt180 -69.46 -52.15 29.35 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.937 0.495 . . . . 75.14 110.234 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.423 HD13 HD21 ' C' ' 799' ' ' LEU . 2.8 pp -71.59 -26.02 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 116.681 -0.236 . . . . 75.14 111.399 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -62.07 -52.08 65.34 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 108.747 -0.834 . . . . 75.35 108.747 171.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -55.34 -43.85 75.37 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.448 1.093 . . . . 73.53 111.975 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 89.7 mmm -58.82 -61.74 2.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.699 -0.682 . . . . 73.0 110.578 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.532 HD22 HD21 ' C' ' 795' ' ' LEU . 10.4 mp -57.54 -30.02 64.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 115.623 -0.717 . . . . 73.13 112.111 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' C' ' 778' ' ' ARG . 8.1 tpt180 -66.6 -43.41 84.92 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.989 0.805 . . . . 75.32 109.968 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 4.5 ttp -58.89 -51.38 70.26 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.996 -0.742 . . . . 71.0 108.996 173.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.92 -31.36 71.67 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 115.688 -0.687 . . . . 72.11 112.563 -177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.495 HG21 ' H ' ' C' ' 790' ' ' ILE . 1.1 p -84.65 -28.8 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 122.976 0.51 . . . . 62.14 111.057 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.53 -27.97 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 122.703 0.401 . . . . 74.23 111.813 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 16.9 p -65.22 -25.64 67.77 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.961 0.504 . . . . 72.55 112.107 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.99 -170.22 12.84 Favored Glycine 0 C--O 1.242 0.627 0 N-CA-C 111.407 -0.677 . . . . 74.03 111.407 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -83.04 10.14 3.78 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 123.349 2.699 . . . . 73.14 111.905 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.07 109.16 0.23 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.736 1.614 . . . . 74.51 112.485 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 46.6 mt 58.78 9.69 1.25 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.835 1.254 . . . . 60.14 113.656 174.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.36 41.36 31.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.279 1.032 . . . . 61.2 111.752 -171.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 70.59 117.16 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.778 1.631 . . . . 74.42 111.679 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.495 ' H ' HG21 ' C' ' 781' ' ' VAL . 15.7 pt -65.9 164.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.04 0.936 . . . . 72.44 111.71 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -118.73 169.19 10.05 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.711 -1.131 . . . . 75.42 108.858 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.38 -40.62 95.01 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 123.988 0.915 . . . . 74.24 111.697 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.41 -38.76 92.4 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.737 0.415 . . . . 71.11 110.787 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.71 -45.29 71.98 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.89 0.876 . . . . 74.3 110.214 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.532 HD21 HD22 ' C' ' 777' ' ' LEU . 1.9 tm? -74.81 -48.6 24.42 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 114.589 -1.187 . . . . 65.23 110.076 -174.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.93 -44.63 87.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.045 0.938 . . . . 72.22 110.582 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.15 92.28 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.94 0.775 . . . . 61.14 113.35 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 13.1 t80 -62.09 -53.14 59.69 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.223 0.535 . . . . 74.45 110.67 176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 803' ' ' VAL . 4.3 mm? -58.77 -47.6 84.11 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.941 -1.027 . . . . 74.02 111.26 178.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -51.24 -48.44 62.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.191 1.396 . . . . 72.43 110.909 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -57.89 -53.69 55.32 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 124.282 0.989 . . . . 53.24 110.043 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -58.38 -34.69 71.0 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.782 0.66 . . . . 63.32 112.782 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 799' ' ' LEU . 92.0 t -63.71 -49.64 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 109.189 -0.671 . . . . 71.4 109.189 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -79.44 -5.75 55.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.019 -0.991 . . . . 72.25 112.927 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -94.14 8.44 41.6 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.421 1.089 . . . . 74.01 111.075 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.33 21.28 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.776 1.23 . . . . 74.21 110.829 -175.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -104.74 -26.51 12.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.031 0.932 . . . . 73.21 110.845 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 151.38 48.88 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.14 0.976 . . . . 74.31 109.901 -176.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.08 132.27 63.62 Favored 'Isoleucine or valine' 0 C--O 1.248 0.981 0 C-N-CA 124.062 0.945 . . . . 75.34 108.901 168.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.45 129.06 56.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.743 1.217 . . . . 73.35 108.37 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 60.5 p -111.46 -143.78 0.39 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 106.986 -1.487 . . . . 72.54 106.986 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.76 74.55 1.57 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.966 0.803 . . . . 63.42 111.415 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.27 21.2 79.27 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.875 -0.602 . . . . 24.43 112.24 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.22 131.74 63.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.788 0.835 . . . . 61.33 110.213 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -99.66 149.62 23.12 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.999 0.919 . . . . 75.24 111.848 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.66 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.17 145.43 15.03 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.519 1.137 . . . . 73.23 110.3 172.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.563 ' H ' ' HB3' ' C' ' 762' ' ' LEU . 0.5 OUTLIER -72.05 123.3 89.27 Favored Pre-proline 0 C--O 1.243 0.744 0 N-CA-C 108.528 -0.916 . . . . 75.04 108.528 171.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . 0.4 ' HB2' ' O ' ' C' ' 820' ' ' ASN . 9.9 Cg_endo -56.05 -19.87 28.19 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.7 2.934 . . . . 70.22 114.598 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 72.63 -7.44 1.42 Allowed 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.161 1.385 . . . . 74.42 112.924 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . 0.427 HD22 ' N ' ' C' ' 820' ' ' ASN . 0.1 OUTLIER 177.55 -179.18 0.23 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.183 1.393 . . . . 64.3 108.67 -174.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 49.2 t -126.27 -5.89 6.58 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.26 0.624 . . . . 70.31 110.853 173.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.255 1.35 0 C-N-CA 124.877 1.271 . . . . 37.76 110.97 -178.151 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 120.399 -0.112 . . . . 61.22 112.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.63 142.62 45.77 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 108.907 -0.775 . . . . 72.1 108.907 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -101.88 155.35 18.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.803 -1.09 . . . . 74.43 108.569 -175.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' B' ' 115' ' ' LEU . 19.0 pt -133.94 159.47 42.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.025 0 N-CA-C 109.239 -0.652 . . . . 53.34 109.239 -175.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 18.4 m-85 -108.64 113.17 25.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.679 -1.146 . . . . 71.33 108.108 172.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 60.5 t -90.57 93.57 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 106.504 -1.665 . . . . 72.32 106.504 177.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -97.27 100.32 11.78 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.509 0.671 . . . . 74.14 109.262 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 t -93.73 142.47 27.32 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.926 -1.033 . . . . 53.54 110.069 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.13 127.05 45.46 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 108.297 -1.001 . . . . 61.12 108.297 173.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 97.7 mt-30 -109.93 83.4 1.75 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.875 -0.602 . . . . 61.22 109.398 -176.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.75 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 55.9 t-105 -99.36 112.89 24.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.322 1.849 . . . . 62.44 107.06 173.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -160.52 147.96 15.98 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.973 0.795 . . . . 64.11 109.932 -169.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 13.9 m -103.01 121.33 42.33 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.884 -0.598 . . . . 63.31 110.085 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.5 mm -94.36 133.12 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.217 1.007 . . . . 70.11 109.168 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 m -99.29 125.85 45.0 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.155 -0.683 . . . . 70.21 109.155 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -143.24 171.97 13.37 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.875 0.87 . . . . 52.15 108.942 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -106.92 161.52 14.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.447 0.641 . . . . 44.02 110.218 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.49 160.83 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-N 114.129 -1.396 . . . . 72.23 110.835 171.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -105.98 140.42 21.22 Favored Pre-proline 0 C--N 1.354 0.785 0 C-N-CA 124.197 0.999 . . . . 65.13 110.014 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 57.4 Cg_endo -68.57 -24.6 35.61 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.718 2.279 . . . . 61.34 111.925 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -79.28 -20.24 48.53 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.851 1.261 . . . . 60.15 112.464 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.16 165.19 14.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.903 0.382 . . . . 74.15 110.282 -173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -73.87 154.99 39.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.547 0.739 . . . . 73.32 111.785 171.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 50' ' ' LEU . 51.4 mm -54.17 -27.84 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 125.137 1.375 . . . . 62.22 111.638 172.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -44.16 -39.73 4.53 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.989 1.716 . . . . 50.13 112.841 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -67.52 -45.3 76.17 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-O 119.242 -0.408 . . . . 72.35 110.684 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG21 HD11 ' A' ' 56' ' ' LEU . 57.3 t -62.58 -51.71 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 121.732 0.777 . . . . 64.34 109.418 -177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -57.83 -42.21 83.87 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 112.843 -1.981 . . . . 71.41 111.0 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.95 -34.88 69.36 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.691 -0.686 . . . . 61.52 111.419 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 92.3 mttt -64.18 -52.68 57.78 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 70.22 110.153 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 36' ' ' ILE . 11.0 pt -70.98 -28.13 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 122.736 0.414 . . . . 74.3 111.3 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.06 -36.85 82.95 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.17 0.51 . . . . 74.52 111.085 170.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -74.56 -46.82 36.45 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.696 0.798 . . . . 74.42 111.124 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.7 mmtt -81.15 -57.34 3.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.158 -0.928 . . . . 52.43 110.161 -174.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.73 -6.67 45.62 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.921 0.489 . . . . 70.45 112.189 -171.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.52 18.82 77.36 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-O 119.813 -0.437 . . . . 74.22 113.785 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.588 HD11 HG13 ' A' ' 30' ' ' ILE . 2.5 pp -76.55 119.35 77.02 Favored Pre-proline 0 CA--C 1.557 1.23 0 N-CA-C 109.163 -0.68 . . . . 61.51 109.163 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -83.91 107.53 1.32 Allowed 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 122.84 2.36 . . . . 70.21 110.868 175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -48.87 -32.05 21.64 Favored 'Trans proline' 0 N--CA 1.514 2.69 0 C-N-CA 124.604 3.536 . . . . 71.12 114.962 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.05 -45.99 75.32 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 114.977 -1.01 . . . . 71.25 111.337 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 3.6 pt20 -113.27 16.73 18.99 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.26 1.024 . . . . 63.41 111.221 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.491 HE21 ' HB3' ' A' ' 69' ' ' LEU . 46.6 tp60 -127.23 109.19 11.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 107.841 -1.17 . . . . 62.22 107.841 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.585 HH22 HG23 ' C' ' 756' ' ' THR . 0.5 OUTLIER -78.07 101.25 6.87 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.384 0.674 . . . . 74.13 109.887 178.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.19 116.88 17.31 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.913 0.885 . . . . 73.22 108.997 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.59 131.55 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 109.253 -0.647 . . . . 51.23 109.253 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' CE2' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -123.71 96.75 5.08 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.964 -1.124 . . . . 63.21 107.964 -177.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.36 33.38 23.08 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.783 0.833 . . . . 74.52 111.693 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.1 -4.7 65.36 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 114.62 0.608 . . . . 73.35 114.62 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -99.15 124.36 44.13 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.875 0.838 . . . . 64.31 110.772 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -79.5 124.11 28.18 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 109.138 -0.69 . . . . 63.22 109.138 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 23' ' ' ILE . 32.5 mt -85.07 119.31 25.33 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.427 0.691 . . . . 55.23 112.016 -171.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.709 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 32.9 tt0 -80.95 134.67 35.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.945 0.898 . . . . 72.13 109.174 173.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.96 -54.05 8.96 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.58 1.552 . . . . 75.12 112.374 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.04 18.2 57.82 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 114.295 -1.321 . . . . 74.3 113.579 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.709 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 3.4 tpt180 -81.16 173.22 12.75 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.172 -1.047 . . . . 74.1 108.172 177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.1 m -109.68 151.79 26.44 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 108.61 -0.885 . . . . 54.54 108.61 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 61' ' ' ILE . 4.1 mm? -62.15 -46.03 90.81 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 109.863 -0.421 . . . . 75.12 109.863 176.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -61.83 -29.3 70.07 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.355 0.502 . . . . 75.41 112.355 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.34 -37.73 65.24 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.986 0.915 . . . . 73.34 111.354 173.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -92.85 -6.34 48.99 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.827 -0.624 . . . . 73.52 111.303 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 58.31 55.9 4.77 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 122.407 1.099 . . . . 64.45 109.476 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 56' ' ' LEU . 32.8 mm -70.21 95.06 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 113.959 -1.473 . . . . 75.45 109.078 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -79.75 166.1 22.11 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.904 -1.044 . . . . 63.4 110.331 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.7 ttmt -65.95 138.52 57.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.314 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.572 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 45.9 mt-10 63.61 25.44 14.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.057 1.343 . . . . 71.21 112.595 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -75.93 142.72 41.96 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 122.632 0.373 . . . . 64.11 110.633 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.04 110.72 21.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.426 0.69 . . . . 63.23 111.313 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.17 144.48 26.08 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.298 -1.371 . . . . 75.22 107.298 169.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HH2' ' A' ' 10' ' ' TRP . 8.1 tp -123.78 127.23 73.72 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 121.445 0.64 . . . . 62.13 109.642 177.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' HB3' HE21 ' A' ' 41' ' ' GLN . 42.9 mt -100.17 114.41 27.8 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.378 -0.828 . . . . 72.23 110.573 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.24 117.04 33.0 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.283 -1.377 . . . . 65.11 107.283 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.13 173.91 7.02 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 118.552 0.614 . . . . 70.24 110.481 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.449 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 27.6 m -35.21 109.32 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.421 1.088 . . . . 62.02 112.975 171.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' C' ' 760' ' ' ALA . 0.0 OUTLIER -135.59 -69.2 0.5 Allowed 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.762 -1.57 . . . . 74.12 106.762 176.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.524 ' HG2' HD13 ' A' ' 73' ' ' LEU . 20.3 mmt85 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.842 -1.072 . . . . 75.13 108.652 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.528 -0.229 . . . . 73.31 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.401 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -87.08 147.9 25.48 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.123 -1.066 . . . . 64.04 108.123 173.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.526 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 3.1 mm-40 -82.01 155.53 25.12 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.525 -0.917 . . . . 72.05 108.525 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -139.79 153.55 23.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 C-N-CA 123.651 0.78 . . . . 70.0 109.954 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -114.98 103.05 10.54 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.099 -0.955 . . . . 70.31 108.533 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.642 HG23 HD21 ' A' ' 15' ' ' LEU . 53.5 t -99.36 108.29 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 109.913 -0.403 . . . . 70.44 109.913 -176.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 30.6 t0 -82.37 103.49 11.97 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.327 -0.619 . . . . 75.54 109.327 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 14.0 t -97.67 146.73 25.04 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.821 1.248 . . . . 52.24 110.539 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.75 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 11.7 p -136.14 126.07 40.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.088 0.471 . . . . 64.25 111.277 166.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -132.5 141.67 48.87 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.118 -0.946 . . . . 73.34 109.026 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -68.28 151.66 46.59 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.861 -0.792 . . . . 71.23 108.861 168.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -148.34 112.07 5.08 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.177 -0.675 . . . . 75.3 109.177 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -93.8 130.57 39.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.687 0.795 . . . . 52.12 110.428 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.52 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 28.6 mt -110.48 160.64 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.43 1.092 . . . . 72.35 108.145 173.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 19.6 p -123.89 127.0 47.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.699 0.8 . . . . 60.51 109.324 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.452 HD13 HG23 ' B' ' 126' ' ' VAL . 4.3 tt -133.59 150.96 51.62 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.798 -1.556 . . . . 74.12 106.798 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.6 tt0 -119.49 129.15 54.57 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.063 0.847 . . . . 71.03 109.144 168.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -132.81 169.0 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.122 0.569 . . . . 73.5 109.977 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -112.93 156.58 42.48 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 108.958 -0.756 . . . . 71.52 108.958 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -63.8 -27.6 67.79 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.181 1.921 . . . . 41.04 111.296 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -80.37 -9.68 59.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.396 1.078 . . . . 70.22 112.903 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.439 ' HB3' HD22 ' B' ' 125' ' ' ASN . 8.7 m-20 -77.86 156.65 30.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.621 0.368 . . . . 73.13 110.309 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.4 p -92.83 165.06 13.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.774 0.83 . . . . 75.42 110.84 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.48 ' HA ' HG12 ' B' ' 126' ' ' VAL . 35.2 mm -73.65 -23.14 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 114.604 -1.18 . . . . 72.43 110.612 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.48 -32.58 67.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.66 0.384 . . . . 72.14 110.028 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 62.0 m-20 -68.92 -53.87 18.63 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 115.159 -0.928 . . . . 65.43 110.328 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' B' ' 123' ' ' ILE . 14.4 p -62.89 -38.05 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 123.652 0.595 . . . . 63.02 111.177 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 54.4 pttt -70.07 -36.65 75.11 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 121.097 0.475 . . . . 74.12 110.297 176.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.52 61.09 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 119.338 -0.363 . . . . 61.04 111.603 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 73.1 mmtt -76.39 -46.3 27.92 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.035 0.534 . . . . 73.13 110.104 176.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' B' ' 136' ' ' ILE . 26.2 pt -66.4 -33.68 65.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 N-CA-C 109.976 -0.379 . . . . 73.11 109.976 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -66.91 -47.74 70.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.809 0.443 . . . . 52.12 111.978 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.58 -52.36 61.32 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.441 0.696 . . . . 65.3 110.88 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.41 -54.15 5.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.514 -1.221 . . . . 73.45 111.691 -172.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.436 ' HG3' HD13 ' B' ' 113' ' ' ILE . 27.3 mm-40 -95.93 -15.3 22.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.512 -0.313 . . . . 74.32 111.038 -166.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.98 14.63 80.44 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.312 0.382 . . . . 43.42 112.964 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 130' ' ' ILE . 88.0 mt -70.05 124.06 89.98 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 123.919 0.888 . . . . 74.33 109.822 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.646 ' HB2' ' HB2' ' B' ' 140' ' ' GLN . 34.8 Cg_endo -63.07 112.67 1.75 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 121.634 1.556 . . . . 73.42 109.077 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.509 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 56.7 Cg_endo -65.15 -42.01 14.99 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.38 2.72 . . . . 72.33 114.137 -161.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -88.87 -32.23 17.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.545 0.738 . . . . 74.32 111.319 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.762 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 23.6 mt-30 -75.68 -19.57 59.05 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.465 0.478 . . . . 64.44 111.079 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -129.58 86.11 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.563 -1.273 . . . . 74.44 107.563 168.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -80.82 138.37 36.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.928 -1.487 . . . . 64.33 110.724 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.2 tp -81.29 132.35 35.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.589 0.756 . . . . 72.42 109.765 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -116.81 138.37 51.55 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.957 0.903 . . . . 72.21 109.347 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' B' ' 148' ' ' LYS . 0.9 OUTLIER -118.65 101.78 8.37 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.336 -0.987 . . . . 63.32 108.336 -176.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.39 26.57 5.49 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.342 0.867 . . . . 73.24 113.342 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.43 36.09 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 114.326 0.49 . . . . 70.01 114.326 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 0.2 OUTLIER -137.24 117.91 13.98 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 108.442 -0.947 . . . . 75.4 108.442 172.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -74.22 155.71 38.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.646 0.26 . . . . 65.14 110.4 -178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.11 120.46 38.55 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.389 -0.967 . . . . 70.43 108.389 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -63.08 128.34 35.42 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.942 -0.762 . . . . 73.24 108.942 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.306 0.642 . . . . 75.41 112.124 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.41 15.26 63.65 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-O 119.69 -0.506 . . . . 43.4 113.5 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -105.35 176.95 4.99 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 117.5 0.65 . . . . 63.03 109.916 -177.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 19.9 m -108.84 156.61 19.46 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.596 0.759 . . . . 71.5 110.096 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.31 -42.13 96.48 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.807 0.843 . . . . 74.3 110.378 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -63.14 -31.39 72.53 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.187 0.595 . . . . 65.44 112.05 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.37 -31.1 63.49 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.881 0.872 . . . . 73.54 111.538 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -102.06 -7.79 22.0 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.38 0.672 . . . . 75.31 111.666 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.71 53.88 11.46 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.225 1.01 . . . . 60.21 110.272 -174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' B' ' 145' ' ' PHE . 5.4 mm -59.19 124.68 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.581 1.152 . . . . 73.11 110.437 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -92.94 156.34 16.99 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.947 0.88 . . . . 71.31 111.67 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -65.65 141.58 58.34 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 114.651 -1.159 . . . . 62.12 109.186 173.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 58.32 24.41 11.56 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.992 1.317 . . . . 51.54 112.358 -172.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.7 t -62.23 119.12 8.4 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-N 118.083 0.401 . . . . 50.0 110.684 170.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -92.75 100.44 12.93 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.057 0.543 . . . . 72.22 109.894 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.13 144.6 25.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.749 0.82 . . . . 65.35 109.19 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 14.9 tt -99.89 120.67 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.977 -0.749 . . . . 71.34 108.977 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 35.9 tp -74.13 130.29 39.49 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.254 -0.647 . . . . 63.22 109.254 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.02 157.15 31.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.108 0.963 . . . . 74.53 110.116 -173.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.37 163.55 27.32 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.861 0.864 . . . . 75.14 110.498 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.762 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 3.8 t -57.9 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.576 1.15 . . . . 73.44 112.055 178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 21.4 tp 169.69 -93.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.223 1.809 . . . . 60.41 106.707 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.473 ' HB2' ' HB3' ' C' ' 812' ' ' ALA . 9.7 mtp180 . . . . . 0 CA--C 1.564 1.483 0 C-N-CA 126.315 1.846 . . . . 75.44 107.938 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 CA-C-O 119.561 -0.577 . . . . 55.42 113.158 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 76.8 p -159.78 173.61 15.74 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 74.51 110.243 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -79.21 -43.11 24.5 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.163 -0.471 . . . . 74.5 110.482 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.0 m 59.95 22.09 11.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.513 1.125 . . . . 64.04 112.13 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.19 127.43 19.31 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.788 1.235 . . . . 73.24 113.0 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 13.0 m -72.19 145.74 47.82 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.372 -0.831 . . . . 72.2 110.494 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.01 35.3 50.27 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 123.322 0.389 . . . . 74.02 112.693 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 27.5 ptm -68.2 158.86 32.31 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.168 0.587 . . . . 72.0 110.346 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.21 60.85 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.691 0.797 . . . . 53.3 111.971 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 20.5 t 64.07 25.62 13.81 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.354 1.462 . . . . 74.35 111.819 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -168.92 -65.25 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.988 0.515 . . . . 75.22 110.151 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . -67.22 -18.39 65.22 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.174 -0.921 . . . . 62.51 112.836 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.14 -39.63 94.42 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 124.311 1.044 . . . . 73.13 111.273 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.21 -37.54 55.3 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 124.007 0.817 . . . . 74.31 111.735 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 47.6 mtmt -71.0 -58.3 3.7 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 123.723 0.809 . . . . 62.2 111.623 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.65 -46.07 14.39 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 124.741 1.276 . . . . 72.34 112.142 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -80.17 -23.59 40.96 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.967 -0.56 . . . . 73.12 110.494 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.92 -39.81 79.42 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.518 -0.549 . . . . 73.41 109.518 171.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.82 -41.26 95.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.227 1.011 . . . . 74.21 109.742 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.43 -36.92 82.19 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.472 -0.785 . . . . 71.45 109.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 59.9 tp -67.05 -40.21 87.09 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.531 0.732 . . . . 54.52 110.229 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -61.4 -42.65 99.07 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.53 -0.759 . . . . 61.11 110.683 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -71.25 -27.14 63.24 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 114.846 -1.07 . . . . 75.44 110.324 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . 0.585 HG23 HH22 ' A' ' 42' ' ' ARG . 81.7 m -66.36 -37.43 85.28 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.568 -0.53 . . . . 73.14 109.568 172.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -64.08 -59.55 4.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 119.667 -0.206 . . . . 75.01 110.775 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.576 HG22 HD12 ' C' ' 762' ' ' LEU . 32.2 mt -61.99 -45.29 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 124.134 0.896 . . . . 61.33 110.533 -173.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.09 -42.74 84.12 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 119.116 -0.468 . . . . 63.12 110.842 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.568 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -72.2 -36.64 69.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.311 0.485 . . . . 42.12 112.311 -175.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.406 ' HE3' ' CZ2' ' A' ' 10' ' ' TRP . 23.8 ptm -66.96 -41.13 87.43 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 107.995 -1.113 . . . . 54.12 107.995 171.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.676 HD13 HD21 ' C' ' 808' ' ' LEU . 20.5 mt -68.62 -13.6 62.46 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.562 0.745 . . . . 64.25 112.921 173.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 95.1 m -75.49 -15.96 60.35 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.248 0.619 . . . . 71.2 110.675 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -120.92 -60.43 1.65 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.68 0.392 . . . . 62.44 110.154 175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -91.66 75.36 5.81 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 107.325 -1.361 . . . . 55.14 107.325 172.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.63 28.67 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.814 1.042 . . . . 74.23 113.814 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 23.2 m -158.51 123.87 4.38 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.502 1.521 . . . . 51.4 107.123 175.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.602 HD21 ' HG ' ' C' ' 762' ' ' LEU . 0.8 OUTLIER -157.98 149.68 21.67 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.013 0.369 . . . . 71.11 111.859 -176.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 43.6 m -74.56 150.48 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.226 0.536 . . . . 71.01 110.455 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.412 ' O ' HD12 ' C' ' 770' ' ' LEU . 1.8 tp -66.86 -43.24 84.1 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.955 1.302 . . . . 54.01 112.332 -174.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.87 -36.39 48.37 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.201 0.6 . . . . 72.23 111.681 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -57.59 -61.66 2.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.158 0.983 . . . . 61.33 111.115 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.636 HD11 HD11 ' C' ' 799' ' ' LEU . 2.5 pp -72.15 -25.33 23.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.044 -0.98 . . . . 71.34 110.937 -172.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.441 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 72.6 t80 -62.39 -55.39 28.37 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 109.451 -0.574 . . . . 63.03 109.451 171.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -65.05 -30.16 71.1 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 123.63 0.581 . . . . 74.04 112.181 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 83.2 mtp -64.77 -59.08 4.63 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.434 0.294 . . . . 71.13 110.245 174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.404 HD22 HD21 ' C' ' 795' ' ' LEU . 10.6 mp -58.52 -35.69 72.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.363 0.665 . . . . 55.32 111.801 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -63.68 -47.44 81.21 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.023 -0.99 . . . . 74.51 109.767 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -54.43 -55.91 24.04 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.364 0.665 . . . . 75.34 110.38 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.34 -23.08 66.91 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.342 0.868 . . . . 71.24 113.342 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.595 HG11 HG12 ' C' ' 790' ' ' ILE . 7.6 p -83.41 -38.64 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 118.84 0.746 . . . . 74.11 111.836 175.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 20.7 m -84.37 -22.11 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 112.592 0.59 . . . . 51.22 112.592 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 7.1 p -63.34 -19.15 64.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 112.216 0.45 . . . . 75.53 112.216 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -141.38 -171.51 12.76 Favored Glycine 0 N--CA 1.466 0.666 0 O-C-N 123.67 0.606 . . . . 62.15 111.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.27 -33.57 38.67 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.691 2.261 . . . . 74.11 111.734 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 29.65 -89.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 127.452 2.301 . . . . 42.52 114.723 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.63 -0.87 6.78 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.355 1.062 . . . . 72.05 111.177 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.31 64.31 0.97 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.747 1.219 . . . . 32.53 109.846 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 69.12 117.97 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.204 1.401 . . . . 73.43 111.644 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.651 HD12 HD23 ' C' ' 795' ' ' LEU . 26.3 pt -84.8 155.42 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 108.168 -1.049 . . . . 62.53 108.168 164.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -126.03 163.31 23.31 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.44 -0.578 . . . . 71.05 109.44 -177.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.8 -43.35 76.77 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 124.188 0.995 . . . . 74.2 112.124 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' C' ' 794' ' ' GLU . 10.5 pt20 -48.18 -45.05 33.18 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 73.12 110.861 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' C' ' 793' ' ' GLN . 7.2 tp10 -86.4 -28.69 23.42 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 114.271 -1.331 . . . . 72.34 110.637 -173.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.651 HD23 HD12 ' C' ' 790' ' ' ILE . 1.2 tm? -81.77 -57.21 3.54 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.37 1.068 . . . . 60.43 109.849 -176.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -52.9 -46.47 68.01 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.239 1.016 . . . . 73.15 109.607 167.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' C' ' 801' ' ' LYS . . . -53.02 -44.68 62.36 Favored Glycine 0 C--N 1.355 1.63 0 O-C-N 124.481 1.113 . . . . 54.05 114.546 171.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -47.09 87.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.921 0.888 . . . . 74.41 110.677 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.636 HD11 HD11 ' C' ' 773' ' ' ILE . 16.9 mt -69.44 -46.13 67.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.17 -1.377 . . . . 74.45 112.531 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.7 -31.53 72.8 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.886 -0.783 . . . . 75.14 108.886 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 797' ' ' GLY . 0.1 OUTLIER -62.09 -52.81 62.4 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 107.861 -1.163 . . . . 64.23 107.861 174.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -56.14 -37.57 69.67 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.634 0.584 . . . . 74.24 112.349 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.42 HG23 ' O ' ' C' ' 799' ' ' LEU . 93.8 t -63.39 -45.49 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 122.989 0.516 . . . . 45.34 110.745 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -79.78 -9.2 59.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.385 0.674 . . . . 73.12 112.133 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -100.79 10.38 41.21 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.737 0.815 . . . . 71.32 110.312 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 61.46 12.8 4.61 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.54 1.536 . . . . 73.2 113.014 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . 0.43 ' O ' ' HD2' ' C' ' 818' ' ' PRO . 17.8 mm100 -78.64 -38.96 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.565 0.746 . . . . 75.43 109.472 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.676 HD21 HD13 ' C' ' 762' ' ' LEU . 28.3 mt -126.92 157.44 39.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.106 0.962 . . . . 54.35 111.033 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . 0.462 HG12 ' HD3' ' C' ' 818' ' ' PRO . 5.1 p -128.99 131.77 67.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 N-CA-C 107.438 -1.319 . . . . 63.2 107.438 171.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.46 109.6 21.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.345 -0.983 . . . . 74.44 108.345 -176.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.528 ' HB3' HG22 ' C' ' 814' ' ' VAL . 27.5 t -85.68 -145.27 0.1 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.381 -0.97 . . . . 61.02 108.381 175.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 174' ' ' ARG . . . -72.69 75.46 1.11 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.367 0.985 . . . . 65.31 110.685 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.7 14.36 75.28 Favored Glycine 0 C--N 1.348 1.217 0 CA-C-N 116.358 -0.383 . . . . 52.32 113.897 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' C' ' 811' ' ' SER . 10.4 m -123.49 151.59 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.148 -0.686 . . . . 73.11 109.148 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 135.3 41.84 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.237 -0.653 . . . . 74.12 109.237 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.411 ' HB2' HG13 ' C' ' 809' ' ' VAL . 86.8 mtt180 -125.96 137.09 53.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 114.682 -1.145 . . . . 74.4 108.457 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.674 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 10.3 tp -88.4 106.32 12.17 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 107.983 -1.117 . . . . 71.33 107.983 176.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . 0.462 ' HD3' HG12 ' C' ' 809' ' ' VAL . 33.1 Cg_endo -62.81 163.56 21.53 Favored 'Trans proline' 0 C--N 1.383 2.364 0 C-N-CA 122.762 2.308 . . . . 63.53 112.215 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -67.37 92.94 0.3 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.446 -0.797 . . . . 74.21 109.516 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -74.82 -14.45 60.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.109 0.964 . . . . 53.35 110.894 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 39.8 m -65.0 88.34 0.07 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.264 1.026 . . . . 63.24 110.365 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.251 1.176 0 C-N-CA 124.006 0.922 . . . . 75.34 110.415 -177.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.702 -0.159 . . . . 53.53 112.702 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.82 -176.13 5.21 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 122.076 0.941 . . . . 45.33 109.805 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.472 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -122.5 161.14 24.17 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 113.608 -1.633 . . . . 75.44 108.011 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.483 HG23 HD13 ' B' ' 167' ' ' LEU . 60.8 mt -134.34 145.55 32.67 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.124 -0.695 . . . . 73.42 109.124 177.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CD1' HG22 ' B' ' 114' ' ' THR . 9.3 m-30 -102.87 101.81 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 106.94 -1.504 . . . . 74.41 106.94 169.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.68 HG13 HD21 ' B' ' 143' ' ' LEU . 86.1 t -91.76 96.36 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 108.548 -0.908 . . . . 54.4 108.548 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -79.42 96.48 6.06 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.358 -0.608 . . . . 71.55 109.358 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -88.7 106.12 18.13 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.763 0.792 . . . . 72.13 109.11 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' B' ' 110' ' ' TRP . 5.0 p -95.38 137.68 22.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 115.169 -0.923 . . . . 74.03 109.624 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -140.17 143.62 36.21 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 123.899 0.879 . . . . 31.45 109.817 -170.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.613 ' HH2' ' SD ' ' C' ' 776' ' ' MET . 0.1 OUTLIER -112.67 124.76 53.28 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.079 -1.082 . . . . 73.14 108.079 -179.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -129.07 113.23 14.87 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.645 0.778 . . . . 64.01 110.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 19.9 m -77.59 104.17 7.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.242 -0.651 . . . . 55.23 109.242 172.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 10.3 mt -90.8 150.85 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 108.769 -0.826 . . . . 64.12 108.769 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -107.55 121.14 44.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.887 -1.153 . . . . 74.31 107.887 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD21 HG23 ' B' ' 105' ' ' VAL . 1.1 pt? -135.52 164.5 27.68 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.503 0.721 . . . . 74.45 109.111 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -111.53 147.48 35.27 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.442 0.697 . . . . 72.12 109.956 173.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.39 163.05 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.236 -0.893 . . . . 70.5 110.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -108.01 151.53 41.33 Favored Pre-proline 0 N--CA 1.485 1.308 0 C-N-CA 123.553 0.741 . . . . 73.51 110.13 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.29 -29.48 46.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.679 2.252 . . . . 52.41 111.872 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -84.55 -9.94 57.87 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.71 1.204 . . . . 73.22 111.714 -175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -72.38 152.62 41.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 109.767 -0.457 . . . . 71.42 109.767 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -76.95 157.8 31.06 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.591 0.71 . . . . 51.35 110.253 167.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.687 HG21 ' HB3' ' A' ' 50' ' ' LEU . 42.8 mm -67.14 -26.59 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 114.881 -1.054 . . . . 71.23 109.242 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 36.4 tt0 -49.02 -43.97 40.94 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.574 1.149 . . . . 74.1 111.177 170.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -57.08 -52.26 65.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.158 0.911 . . . . 73.41 111.111 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.97 -47.77 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.809 0.843 . . . . 75.13 111.435 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HA ' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -72.44 -29.73 63.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.845 0.458 . . . . 73.15 111.189 -177.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.41 -35.08 78.57 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.573 0.349 . . . . 24.44 110.776 173.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -80.08 -35.9 36.29 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.749 0.648 . . . . 74.22 112.749 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.471 HG13 ' HA ' ' A' ' 27' ' ' LYS . 2.9 pp -68.69 -32.8 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-N 119.543 1.065 . . . . 53.23 109.269 172.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.92 -43.13 89.04 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.086 -0.506 . . . . 70.25 110.566 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.67 -49.29 69.11 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.264 1.026 . . . . 54.21 111.5 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.77 -60.03 2.46 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.105 -0.952 . . . . 70.15 110.534 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' HD11 ' A' ' 36' ' ' ILE . 5.2 tp10 -87.49 -30.45 20.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.808 0.443 . . . . 72.45 111.636 -169.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.26 25.58 16.12 Favored Glycine 0 N--CA 1.475 1.267 0 N-CA-C 113.476 0.15 . . . . 70.02 113.476 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' HB ' ' A' ' 30' ' ' ILE . 27.5 mt -85.26 123.1 73.62 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 123.283 0.633 . . . . 73.4 109.946 -176.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 15.8 Cg_exo -69.4 116.09 4.36 Favored 'Trans proline' 0 CA--C 1.559 1.745 0 C-N-CA 122.484 2.123 . . . . 72.31 111.165 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -65.66 -24.7 54.98 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.469 2.779 . . . . 62.23 113.963 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.6 -33.69 76.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.271 -0.877 . . . . 75.14 111.821 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.519 HE21 HD11 ' A' ' 71' ' ' LEU . 20.6 pt20 -100.35 18.68 18.29 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.376 0.608 . . . . 63.01 111.261 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' HD11 ' A' ' 69' ' ' LEU . 17.5 tt0 -105.33 142.15 35.6 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.516 1.126 . . . . 64.44 111.101 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 3.3 mpt_? -124.36 84.23 2.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 107.537 -1.283 . . . . 74.3 107.537 163.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 121.22 24.75 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.134 -1.432 . . . . 55.44 107.134 174.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.579 HG12 ' HG3' ' A' ' 49' ' ' GLN . 12.6 mt -126.9 139.56 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 109.466 -0.568 . . . . 65.34 109.466 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 50' ' ' LEU . 37.8 t80 -122.96 109.91 14.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 74.43 109.055 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.32 18.68 5.68 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 124.074 0.95 . . . . 41.45 112.736 173.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.554 ' HA2' HD11 ' C' ' 753' ' ' LEU . . . 93.69 27.16 13.27 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 114.572 0.589 . . . . 61.31 114.572 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -139.2 119.08 13.28 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.245 -1.02 . . . . 71.22 108.245 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.579 ' HG3' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -73.04 131.01 41.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.785 0.834 . . . . 62.54 111.349 -171.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.8 mm? -73.36 98.2 2.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.301 1.04 . . . . 63.21 109.989 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 32.8 mm-40 -70.91 142.25 51.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.796 0.838 . . . . 63.02 111.669 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -41.57 -64.51 0.56 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.321 1.848 . . . . 75.04 113.132 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.88 31.46 8.17 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.836 -0.62 . . . . 52.2 113.263 -177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 8.7 tpt180 -89.59 -179.85 5.88 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.82 -1.178 . . . . 74.2 107.82 176.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.0 m -118.02 151.75 36.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.278 0.631 . . . . 74.12 109.409 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 23' ' ' ILE . 4.1 mm? -58.54 -41.74 86.23 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.328 0.651 . . . . 50.44 110.62 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -62.9 -27.19 69.2 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.173 0.989 . . . . 74.32 112.653 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.12 -31.98 70.56 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.117 0.484 . . . . 41.12 110.987 176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' HB2' HG13 ' A' ' 61' ' ' ILE . 75.7 m-85 -97.01 1.44 50.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.647 0.779 . . . . 65.4 110.355 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t30 59.15 30.79 20.65 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.222 1.009 . . . . 72.53 109.931 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 59' ' ' TYR . 49.5 mt -63.16 111.06 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 114.953 -1.021 . . . . 72.33 109.78 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -108.77 -171.82 1.93 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.395 1.078 . . . . 72.45 108.875 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -65.81 155.2 36.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.297 0.239 . . . . 71.32 110.545 177.172 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 39.27 52.14 2.14 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.093 1.757 . . . . 55.32 113.253 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.063 -0.971 . . . . 61.54 108.984 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.49 123.33 38.98 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.11 0.564 . . . . 55.21 111.042 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 1.2 mp -114.11 156.6 23.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.579 -1.267 . . . . 71.2 107.579 175.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.96 134.22 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.916 -0.772 . . . . 72.02 108.916 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD23 ' H ' ' B' ' 108' ' ' VAL . 39.0 tp -93.01 128.8 39.0 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.1 -0.955 . . . . 75.55 110.135 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.7 mp -120.57 158.37 27.48 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.371 -0.974 . . . . 73.33 108.371 176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.519 HD11 HE21 ' A' ' 40' ' ' GLN . 22.7 tp -99.86 172.12 7.44 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.132 0.973 . . . . 54.35 110.145 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.5 m -37.28 124.85 0.99 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 125.259 1.424 . . . . 72.03 113.783 172.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.8 -70.82 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.258 -1.016 . . . . 72.15 108.258 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG2' ' HG2' ' A' ' 42' ' ' ARG . 6.5 ptm180 . . . . . 0 CA--C 1.554 1.114 0 CA-C-O 118.512 -0.756 . . . . 55.54 110.156 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.159 0 N-CA-C 111.395 -0.682 . . . . 74.43 111.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.38 -179.77 8.25 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.328 0.585 . . . . 75.33 111.509 -174.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.12 123.48 20.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.076 -1.453 . . . . 74.41 107.076 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.5 pt -120.95 175.92 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.105 0.562 . . . . 72.42 111.72 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.0 m-85 -120.9 113.01 19.5 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.211 -0.904 . . . . 71.15 108.631 177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.573 HG23 HD21 ' A' ' 15' ' ' LEU . 63.7 t -107.62 112.85 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.666 -0.864 . . . . 73.31 108.666 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.542 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.4 t0 -80.97 96.88 7.23 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.008 -0.738 . . . . 74.41 109.008 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.6 t -98.06 143.85 28.17 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.929 0.891 . . . . 75.44 110.949 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.664 ' H ' HD23 ' A' ' 69' ' ' LEU . 4.9 p -109.95 135.87 47.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.093 0.557 . . . . 74.14 110.358 176.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.39 145.62 39.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.87 0.868 . . . . 73.14 108.983 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -127.66 141.28 51.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.678 0.391 . . . . 75.53 111.264 172.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -116.02 145.1 43.26 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.367 1.067 . . . . 72.05 109.413 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.412 HG23 ' HB3' ' A' ' 4' ' ' PHE . 28.9 m -97.02 112.54 24.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.626 0.77 . . . . 74.32 109.449 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 25.9 mm -97.77 109.56 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 109.176 -0.675 . . . . 74.12 109.176 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 4' ' ' PHE . 39.1 p -89.73 102.01 14.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.991 0.424 . . . . 73.44 110.411 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.26 171.66 7.42 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 115.7 -0.682 . . . . 73.21 110.091 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 25.2 mt-10 -126.77 135.35 50.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.533 0.733 . . . . 71.43 110.236 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.88 170.76 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-N 115.211 -0.904 . . . . 70.34 110.39 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -108.59 150.43 40.7 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.581 0.752 . . . . 75.12 109.711 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . 0.404 ' HB2' ' OG ' ' B' ' 157' ' ' SER . 52.1 Cg_endo -66.22 -33.35 39.95 Favored 'Trans proline' 0 C--N 1.37 1.698 0 C-N-CA 122.642 2.228 . . . . 73.22 113.006 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 62.3 p -82.91 -8.62 59.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.292 0.637 . . . . 55.23 111.898 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -74.44 158.19 34.3 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 109.525 -0.546 . . . . 75.4 109.525 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -93.19 171.05 9.18 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.616 0.766 . . . . 63.52 110.071 171.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.673 HG21 ' HB3' ' B' ' 150' ' ' LEU . 27.8 mm -73.99 -14.47 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 CA-C-N 115.482 -0.781 . . . . 71.03 109.705 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.461 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 9.0 pt-20 -60.01 -32.24 70.69 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.841 0.456 . . . . 72.13 110.382 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 51.2 m-80 -66.09 -43.63 86.75 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.927 -0.397 . . . . 73.14 109.927 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.63 -48.37 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.207 0.603 . . . . 71.04 110.576 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.611 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -64.77 -36.49 84.48 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 123.29 0.368 . . . . 74.01 110.927 177.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -69.04 -33.11 73.07 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 123.468 0.48 . . . . 70.34 111.644 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.1 mmtt -77.43 -42.38 36.32 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.634 0.373 . . . . 64.51 110.922 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.53 ' HB ' HD12 ' B' ' 136' ' ' ILE . 22.9 pt -71.3 -25.53 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 117.958 0.345 . . . . 73.11 110.705 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -71.68 -46.6 58.32 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.866 0.866 . . . . 75.31 110.982 172.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.54 -49.82 75.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.622 0.769 . . . . 73.12 110.197 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -80.91 -62.94 1.52 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.615 -1.175 . . . . 72.25 111.296 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -98.35 -10.54 23.65 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.882 0.697 . . . . 74.24 112.882 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.8 64.95 Favored Glycine 0 N--CA 1.469 0.876 0 O-C-N 123.1 0.25 . . . . 52.15 113.165 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.53 HD12 ' HB ' ' B' ' 130' ' ' ILE . 73.6 mt -81.72 122.83 80.7 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.462 0.705 . . . . 72.13 109.553 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 32.1 Cg_exo -59.88 132.11 43.23 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.969 2.446 . . . . 52.52 112.242 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.611 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.6 Cg_endo -53.0 -41.24 72.92 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 123.411 2.741 . . . . 63.04 112.38 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.73 -39.31 65.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.485 1.114 . . . . 60.4 111.224 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 172' ' ' THR . 6.6 mt-30 -97.76 8.25 45.0 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.343 -0.844 . . . . 74.42 112.957 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' B' ' 127' ' ' LYS . 0.0 OUTLIER -78.64 82.17 4.9 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.862 0.465 . . . . 74.41 110.171 178.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' B' ' 142' ' ' ARG . 0.2 OUTLIER -95.26 79.89 3.53 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.799 -0.815 . . . . 53.13 108.799 172.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.68 HD21 HG13 ' A' ' 5' ' ' VAL . 10.2 mt -89.23 113.58 24.82 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.173 -1.376 . . . . 52.45 108.748 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -100.62 112.16 24.51 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.993 -1.114 . . . . 54.32 107.993 171.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -110.67 106.08 15.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.062 1.345 . . . . 72.02 109.297 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.88 26.6 15.84 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 124.095 0.872 . . . . 54.1 111.459 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' C' ' 822' ' ' SER . . . 95.35 -3.53 66.3 Favored Glycine 0 C--N 1.347 1.171 0 N-CA-C 114.893 0.717 . . . . 53.03 114.893 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -97.37 126.59 42.71 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 108.923 -0.769 . . . . 74.3 108.923 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.9 136.79 35.3 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.927 -0.768 . . . . 71.24 108.927 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.673 ' HB3' HG21 ' B' ' 123' ' ' ILE . 10.8 mp -85.75 97.61 10.25 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.772 0.796 . . . . 74.23 112.282 -173.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.11 132.04 35.34 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.7 -1.591 . . . . 64.12 107.382 174.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.663 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 24.7 m-20 -61.09 -28.29 68.98 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 124.138 0.975 . . . . 74.55 113.196 -168.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -77.54 -8.0 87.13 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-N 115.739 -0.664 . . . . 63.22 114.359 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.429 ' O ' HG12 ' B' ' 123' ' ' ILE . 3.8 mmp_? -88.83 156.52 18.9 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 117.283 0.542 . . . . 73.51 109.597 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 7.7 p -92.02 163.4 14.0 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.766 0.426 . . . . 54.24 110.185 176.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.59 -37.87 85.82 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 109.412 -0.588 . . . . 75.23 109.412 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.404 ' OG ' ' HB2' ' B' ' 119' ' ' PRO . 70.1 m -64.52 -29.86 70.89 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.016 0.527 . . . . 62.11 112.049 173.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -69.1 -17.31 63.84 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.185 0.594 . . . . 63.41 111.137 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' B' ' 150' ' ' LEU . 86.9 m-85 -102.64 -9.45 20.08 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.57 0.748 . . . . 73.12 111.081 172.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.59 52.87 10.4 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.006 0.908 . . . . 73.15 108.994 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' B' ' 159' ' ' TYR . 3.4 mm -62.31 110.51 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 114.391 -1.277 . . . . 74.21 110.18 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 147.54 36.53 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 114.345 -1.298 . . . . 75.21 109.426 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -65.14 127.71 32.79 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 108.915 -0.772 . . . . 72.44 108.915 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 68.64 23.36 7.2 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.608 1.193 . . . . 72.45 111.674 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.3 p -59.96 140.94 56.39 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 123.479 0.487 . . . . 74.11 110.944 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -107.16 111.5 23.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.774 0.43 . . . . 73.5 110.781 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.483 HD13 HG23 ' A' ' 3' ' ' ILE . 4.2 mp -113.49 148.15 36.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.459 1.104 . . . . 75.53 108.731 -172.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' C' ' 766' ' ' GLU . 12.9 tt -100.62 115.3 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-O 121.535 0.683 . . . . 74.13 110.651 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.599 HD13 ' HG ' ' B' ' 143' ' ' LEU . 67.8 tp -98.46 130.15 45.07 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.299 1.04 . . . . 61.51 109.818 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.484 HD13 ' O ' ' C' ' 767' ' ' SER . 4.1 mt -130.8 121.8 26.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.134 0.974 . . . . 72.43 108.598 170.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.411 HD21 HG12 ' B' ' 136' ' ' ILE . 7.3 mp -74.81 85.24 2.19 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.988 0.805 . . . . 63.33 109.29 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' B' ' 140' ' ' GLN . 11.6 p -150.65 151.64 32.8 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.758 1.223 . . . . 73.54 109.202 -176.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -80.46 -57.05 3.77 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 118.562 0.619 . . . . 70.44 109.628 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 . . . . . 0 C--O 1.251 1.151 0 N-CA-C 107.978 -1.119 . . . . 73.22 107.978 175.146 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.482 -0.247 . . . . 64.04 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 21.5 m -71.75 -40.71 69.17 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.923 0.889 . . . . 44.31 112.059 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -99.15 126.13 44.86 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.147 0.579 . . . . 62.3 110.733 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 22.6 m -110.02 16.33 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.918 0.887 . . . . 74.14 110.975 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 21.7 t70 68.71 112.54 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.825 1.25 . . . . 71.02 110.576 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 17.2 t -115.15 158.18 22.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.601 0.761 . . . . 70.42 110.415 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 153.02 -53.91 0.46 Allowed Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.096 -0.801 . . . . 61.34 111.096 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 80.9 mmm -122.02 147.19 46.39 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.283 1.033 . . . . 73.52 109.363 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . 0.402 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . . . -167.8 86.56 0.23 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.187 0.995 . . . . 74.43 109.675 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 55.9 m -149.59 106.25 3.54 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.413 1.085 . . . . 54.44 108.78 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 80.87 -61.9 0.22 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.751 2.021 . . . . 73.54 111.333 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.9 64.15 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.171 0.988 . . . . 74.05 111.535 -174.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' C' ' 741' ' ' ALA . 8.2 p-10 -53.72 -42.74 68.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.829 1.252 . . . . 63.34 112.067 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.88 -54.9 27.93 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.067 0.855 . . . . 70.41 112.068 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -71.2 -48.23 52.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.831 0.852 . . . . 60.14 112.035 -170.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.22 -41.71 97.33 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.433 -0.803 . . . . 70.13 110.768 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -75.01 -30.89 61.25 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.44 0.462 . . . . 72.3 110.434 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -48.39 72.75 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.064 0.853 . . . . 72.02 109.954 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.46 -42.85 99.4 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.158 0.911 . . . . 64.11 110.461 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.3 -34.58 78.31 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 123.822 0.701 . . . . 71.23 109.575 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . 0.554 HD11 ' HA2' ' A' ' 47' ' ' GLY . 3.1 tm? -71.27 -41.15 70.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.32 1.048 . . . . 64.21 110.159 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.501 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 32.0 m-85 -62.92 -40.99 99.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.469 0.708 . . . . 74.41 109.433 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.438 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.5 t-105 -68.36 -45.21 73.43 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 114.88 -1.055 . . . . 73.15 110.407 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . 0.442 HG21 ' HD2' ' A' ' 74' ' ' ARG . 98.6 m -63.41 -32.13 73.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.083 0.553 . . . . 64.5 110.468 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.448 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.03 -60.31 3.67 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.669 -0.696 . . . . 74.43 109.454 171.384 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' C' ' 762' ' ' LEU . 56.3 mt -62.97 -37.01 78.19 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.116 0 CA-C-N 114.956 -1.02 . . . . 72.51 111.016 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' C' ' 817' ' ' LEU . 52.5 mt-30 -63.56 -58.8 5.84 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.745 0.818 . . . . 71.21 110.906 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -71.71 -22.74 61.59 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.586 -1.188 . . . . 71.03 111.766 -170.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.711 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.7 ppp? -85.25 -37.58 19.9 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 110.166 -0.309 . . . . 62.31 110.166 172.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.711 HD22 ' SD ' ' C' ' 761' ' ' MET . 1.7 mm? -68.91 -27.75 66.06 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 123.525 0.73 . . . . 74.13 111.634 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 11.4 t -67.78 -16.82 64.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.535 0.334 . . . . 72.23 111.136 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -104.7 -53.94 2.6 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.341 0.656 . . . . 73.43 109.609 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.458 ' O ' HD13 ' C' ' 762' ' ' LEU . 3.4 mp -96.32 72.58 2.82 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.449 -0.945 . . . . 62.31 108.449 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 26.0 tt0 -78.62 76.1 5.13 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 116.449 -0.341 . . . . 65.14 110.546 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . 0.484 ' O ' HD13 ' B' ' 170' ' ' LEU . 6.9 m 151.78 103.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 128.008 2.523 . . . . 54.12 110.011 169.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 5.4 mp -133.35 142.65 48.52 Favored 'General case' 0 C--O 1.248 0.975 0 C-N-CA 123.162 0.585 . . . . 74.13 110.236 169.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 22.9 t -58.11 144.06 41.59 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-N 114.781 -1.1 . . . . 61.13 109.316 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.456 HD13 HD13 ' C' ' 799' ' ' LEU . 5.0 tp -50.89 -36.71 39.54 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.282 0.988 . . . . 71.42 111.578 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -61.52 -39.25 90.33 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.379 0.511 . . . . 72.13 112.379 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.45 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 21.5 mtp180 -61.85 -58.53 7.59 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 122.648 0.379 . . . . 53.3 110.409 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.55 HD12 HD11 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -59.93 -39.86 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 CA-C-N 115.089 -0.96 . . . . 52.41 110.618 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.445 ' HA ' HD11 ' C' ' 795' ' ' LEU . 35.4 t80 -56.98 -50.59 72.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.998 0.919 . . . . 61.3 111.303 177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -67.58 -30.69 70.37 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.712 0.405 . . . . 62.13 111.616 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . 0.613 ' SD ' ' HH2' ' A' ' 10' ' ' TRP . 21.3 mtm -60.73 -55.44 33.13 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.898 -0.408 . . . . 71.2 109.898 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.424 HD21 HD11 ' C' ' 758' ' ' ILE . 10.8 mp -59.48 -34.45 72.58 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.576 0.75 . . . . 74.52 111.099 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' C' ' 781' ' ' VAL . 27.6 mtm180 -64.55 -44.33 91.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.142 0.577 . . . . 73.34 111.493 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 2.8 tpt -54.39 -50.48 67.45 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.347 0.659 . . . . 74.12 110.257 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . 0.501 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 7.1 m-85 -68.16 -35.07 77.48 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.385 -0.371 . . . . 73.23 111.574 -175.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.53 HG21 ' H ' ' C' ' 790' ' ' ILE . 6.7 p -77.54 -30.8 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.458 0.303 . . . . 44.51 111.753 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 -33.66 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 117.684 0.22 . . . . 71.23 110.978 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 25.1 p -77.4 -24.85 50.42 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 120.826 0.346 . . . . 62.35 111.483 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -114.29 174.66 15.67 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.529 -0.759 . . . . 73.12 112.315 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -84.57 17.7 1.69 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 123.397 2.731 . . . . 72.0 112.776 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.47 106.0 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.998 1.719 . . . . 71.34 113.964 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 36.95 38.33 0.09 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 127.361 2.264 . . . . 63.01 112.929 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.54 -67.36 0.25 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.123 1.369 . . . . 72.01 110.582 -171.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -163.22 133.52 4.46 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.165 0.986 . . . . 64.14 108.455 -177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.575 HD12 HD12 ' C' ' 795' ' ' LEU . 31.1 pt -80.17 175.86 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.444 0.698 . . . . 74.44 109.55 167.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' C' ' 794' ' ' GLU . 20.4 t70 -149.65 172.67 14.68 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.992 -0.744 . . . . 74.54 108.992 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.43 -45.99 87.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.85 0.86 . . . . 74.42 111.363 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -63.99 -34.59 78.33 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.177 0.298 . . . . 71.43 110.797 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' C' ' 791' ' ' ASP . 13.1 tp10 -70.4 -47.0 62.87 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.197 0.999 . . . . 72.01 110.561 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.575 HD12 HD12 ' C' ' 790' ' ' ILE . 7.6 tt -76.77 -51.2 11.83 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 124.363 1.065 . . . . 62.25 110.165 -172.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.46 -44.69 89.35 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.825 0.85 . . . . 75.24 110.615 171.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.5 -34.63 86.45 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.952 0.782 . . . . 61.41 113.599 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 8.2 t80 -64.52 -51.87 60.69 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.088 0.555 . . . . 64.12 109.604 175.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.55 HD11 HD12 ' C' ' 773' ' ' ILE . 3.5 mt -66.61 -29.0 68.94 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.545 0.738 . . . . 61.31 112.227 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.39 -47.25 77.0 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.867 -0.79 . . . . 75.41 108.867 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -57.44 -50.43 73.03 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.824 1.327 . . . . 74.41 109.888 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.512 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -60.87 -39.76 90.43 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 113.169 0.803 . . . . 62.21 113.169 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 56.1 t -68.98 -44.67 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 122.926 0.49 . . . . 63.14 110.803 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -78.0 -12.02 59.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.283 0.633 . . . . 74.3 112.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -94.32 -4.82 47.95 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.933 0.893 . . . . 74.43 110.863 172.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 64.99 14.1 9.11 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 125.203 1.401 . . . . 65.14 111.556 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . 0.413 ' HG3' ' HZ2' ' C' ' 755' ' ' TRP . 5.6 tp-100 -78.0 -22.44 49.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.028 1.331 . . . . 74.21 110.552 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' C' ' 817' ' ' LEU . 1.4 tt -144.24 138.7 28.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.187 -1.412 . . . . 74.12 107.187 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.93 130.32 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.039 0.536 . . . . 74.13 109.879 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -92.44 105.68 17.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.517 -1.29 . . . . 72.24 107.517 174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.538 ' HB3' HG13 ' C' ' 814' ' ' VAL . 23.7 t -78.27 -146.84 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.722 0.809 . . . . 63.45 109.273 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.52 72.08 1.88 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.835 0.743 . . . . 64.52 111.486 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.18 21.42 78.04 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-N 115.86 -0.609 . . . . 43.31 112.628 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.538 HG13 ' HB3' ' C' ' 811' ' ' SER . 7.0 p -143.17 139.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 123.501 0.721 . . . . 63.45 109.41 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -92.81 134.15 35.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.997 0.519 . . . . 73.31 110.761 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.657 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 5.0 ppt_? -154.19 141.31 19.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.737 0.815 . . . . 75.42 109.197 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.575 HD23 ' HG ' ' C' ' 808' ' ' LEU . 76.7 mt -71.75 143.93 87.66 Favored Pre-proline 0 N--CA 1.488 1.45 0 N-CA-C 112.08 0.4 . . . . 71.14 112.08 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -43.72 131.13 7.64 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 124.557 3.505 . . . . 52.32 115.169 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . 0.411 ' HB3' ' H ' ' C' ' 820' ' ' ASN . 39.8 mttp -89.4 -130.38 0.08 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 108.023 -1.103 . . . . 71.21 108.023 163.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . 0.411 ' H ' ' HB3' ' C' ' 819' ' ' LYS . 1.7 p-10 -50.47 -45.69 56.37 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.61 0.764 . . . . 73.54 110.589 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 32.0 t -173.98 -78.73 0.01 OUTLIER 'General case' 0 C--O 1.244 0.798 0 N-CA-C 107.193 -1.41 . . . . 71.2 107.193 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . 0.49 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 8.7 t . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 117.68 -1.152 . . . . 70.04 108.664 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.44 0 N-CA-C 110.765 -0.934 . . . . 32.01 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -160.45 149.61 17.21 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 121.991 0.9 . . . . 74.33 109.514 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.51 ' H ' ' NE2' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -101.4 148.3 25.32 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 107.419 -1.326 . . . . 63.41 107.419 176.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.39 164.23 31.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 C-N-CA 122.997 0.519 . . . . 73.34 110.018 -174.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.5 ' CD1' HG22 ' B' ' 114' ' ' THR . 4.9 m-85 -123.01 102.78 8.19 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.527 -1.286 . . . . 74.13 107.527 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -90.82 96.8 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.17 -1.048 . . . . 73.54 108.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.91 101.31 1.73 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.374 -0.83 . . . . 73.13 110.248 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 p -88.47 101.19 13.67 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.311 -0.859 . . . . 43.13 109.077 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.55 135.83 29.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 N-CA-C 108.627 -0.879 . . . . 75.25 108.627 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.63 103.18 7.98 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 107.133 -1.432 . . . . 71.42 107.133 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.412 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 49.9 t-105 -111.94 108.34 17.66 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 125.31 1.444 . . . . 70.54 108.099 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -154.2 134.76 13.52 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.433 0.458 . . . . 74.11 111.813 -172.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 7.5 m -76.65 116.62 17.5 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.241 -0.89 . . . . 74.13 109.16 169.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 mm -93.82 122.11 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 109.079 -0.712 . . . . 72.01 109.079 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.1 m -88.99 127.56 35.67 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.459 -0.571 . . . . 74.55 109.459 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.51 171.17 15.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.756 1.222 . . . . 74.22 107.96 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -115.53 158.42 22.63 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.615 0.721 . . . . 75.22 110.32 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -151.01 172.96 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 114.009 -1.45 . . . . 70.22 108.842 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 45.3 mt-10 -125.28 150.17 66.44 Favored Pre-proline 0 N--CA 1.482 1.126 0 CA-C-N 118.457 0.571 . . . . 54.51 110.414 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD3' ' SD ' ' B' ' 101' ' ' MET . 29.4 Cg_endo -63.39 -30.5 72.68 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.501 2.134 . . . . 74.44 112.603 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -84.51 -4.51 58.99 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.904 0.882 . . . . 73.44 112.412 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' O ' HD23 ' A' ' 56' ' ' LEU . 26.3 t70 -90.15 139.25 30.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.266 -1.383 . . . . 70.34 107.266 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 19.3 p -80.94 161.39 24.34 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.795 0.807 . . . . 74.55 112.707 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.491 HD13 HD22 ' A' ' 56' ' ' LEU . 13.7 mm -66.84 -28.9 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 113.813 -1.539 . . . . 74.33 110.016 173.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -50.23 -46.57 54.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.919 1.288 . . . . 72.32 111.407 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' ND2' ' H ' ' A' ' 22' ' ' THR . 69.9 m-20 -63.93 -44.85 91.64 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.276 -0.874 . . . . 71.2 110.391 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.03 -48.91 80.98 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 O-C-N 123.733 0.646 . . . . 73.24 110.442 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -51.69 -53.77 35.53 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 125.261 1.424 . . . . 73.12 111.146 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.37 65.32 Favored 'General case' 0 CA--C 1.557 1.215 0 CA-C-N 114.829 -1.078 . . . . 75.14 112.92 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 15.3 ptpt -82.22 -34.7 28.79 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.164 0.586 . . . . 74.21 110.172 -174.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' HB ' HD11 ' A' ' 36' ' ' ILE . 14.7 pt -75.55 -34.68 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 109.482 -0.562 . . . . 73.14 109.482 175.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.3 -34.96 79.57 Favored 'General case' 0 C--N 1.362 1.137 0 CA-C-N 116.154 -0.476 . . . . 71.23 110.534 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.67 -52.39 38.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.81 0.444 . . . . 71.52 111.074 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 44.5 mmtm -76.98 -64.09 1.21 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.722 -0.672 . . . . 73.13 111.624 -171.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.97 -18.89 38.34 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.402 0.681 . . . . 73.42 111.571 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.97 78.8 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 123.315 0.384 . . . . 73.54 112.279 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD11 ' HB ' ' A' ' 30' ' ' ILE . 11.8 pt -88.86 113.73 57.12 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.595 0.758 . . . . 61.33 110.007 -176.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.8 Cg_endo -81.36 134.79 9.13 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.06 2.506 . . . . 55.44 111.521 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -59.13 -42.98 45.6 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 123.621 2.881 . . . . 73.54 113.628 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.58 -33.41 75.86 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.526 0.731 . . . . 62.03 111.265 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -16.55 24.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.335 1.054 . . . . 65.43 110.613 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.732 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 68.4 mt-30 -140.06 98.2 3.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 61.43 109.282 177.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.573 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.8 103.05 6.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.562 0.745 . . . . 71.43 110.22 -176.392 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 67' ' ' LEU . 4.1 tt -71.86 111.9 7.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.278 1.031 . . . . 61.43 110.214 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.691 HG12 ' HG2' ' A' ' 49' ' ' GLN . 9.1 mt -110.28 133.24 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.302 -0.999 . . . . 54.34 108.302 168.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 20.3 t80 -120.63 119.66 33.51 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.652 1.181 . . . . 73.22 109.288 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.96 19.26 11.49 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 124.02 0.825 . . . . 51.12 112.321 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.46 29.85 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 115.251 -0.886 . . . . 74.55 113.703 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -143.17 117.98 9.92 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.959 0.904 . . . . 71.13 109.52 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.691 ' HG2' HG12 ' A' ' 44' ' ' ILE . 77.2 mt-30 -70.87 129.45 39.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.302 -0.629 . . . . 63.15 109.302 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.3 mt -87.35 117.34 26.05 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.902 -0.59 . . . . 74.2 110.308 -174.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 53' ' ' GLY . 32.9 tt0 -76.84 123.17 25.84 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.31 -0.859 . . . . 73.11 109.068 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.2 p-10 -61.68 -23.85 66.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.141 0.976 . . . . 74.33 112.037 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' H ' ' HG2' ' A' ' 51' ' ' GLU . . . -74.28 0.96 52.08 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.878 -0.601 . . . . 74.55 114.33 176.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -111.43 178.8 4.21 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 117.807 0.804 . . . . 75.21 110.807 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.4 m -115.72 159.17 21.75 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.117 0.967 . . . . 73.42 109.586 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 21' ' ' ASP . 4.4 mm? -62.12 -41.71 98.51 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.149 0.579 . . . . 73.44 112.221 -177.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -30.67 71.74 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.362 0.505 . . . . 75.01 112.362 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' THR . 16.4 t70 -55.79 -33.19 64.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.493 0.717 . . . . 71.43 111.259 174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -93.84 -12.23 29.44 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.401 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.34 45.86 22.08 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.41 1.084 . . . . 73.44 110.233 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.461 HD12 HD13 ' A' ' 56' ' ' LEU . 34.4 mt -71.27 119.68 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 73.0 109.399 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -98.06 -171.76 2.22 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.102 0.961 . . . . 75.21 109.821 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -77.4 147.24 36.13 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 120.829 0.347 . . . . 71.22 111.273 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 55.93 31.74 18.44 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.614 1.566 . . . . 64.54 112.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -73.59 136.15 43.93 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 123.277 0.631 . . . . 72.31 109.327 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.93 129.08 46.73 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.379 0.609 . . . . 74.54 111.312 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -126.04 164.82 20.01 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.189 1.795 . . . . 75.25 107.128 -177.014 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 tt -146.17 133.98 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.172 0.511 . . . . 73.41 111.096 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.732 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 5.0 mp -87.05 122.59 31.08 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.197 -0.911 . . . . 74.31 108.966 165.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 3.2 mm? -95.17 125.5 39.86 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.097 -1.446 . . . . 75.44 107.097 177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB2' HG13 ' B' ' 108' ' ' VAL . 2.3 tt -70.01 149.12 48.05 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.835 -0.802 . . . . 75.34 108.835 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.465 ' N ' HD23 ' A' ' 71' ' ' LEU . 31.8 m -34.17 104.22 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.279 1.832 . . . . 70.02 113.495 -177.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.3 pp -79.58 -18.74 51.01 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 115.283 -0.871 . . . . 65.22 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 73' ' ' LEU . 6.6 ptm180 . . . . . 0 CA--C 1.556 1.177 0 C-N-CA 124.812 1.245 . . . . 54.2 109.06 170.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.333 -0.307 . . . . 52.55 112.333 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.427 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.29 152.89 26.67 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.79 0.805 . . . . 53.44 110.264 -175.017 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -86.95 151.45 23.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.524 -1.217 . . . . 72.13 109.504 -175.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 21.7 pt -143.68 164.13 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 121.386 0.612 . . . . 71.43 110.828 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 12' ' ' THR . 19.4 m-85 -124.98 104.25 8.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.9 -1.045 . . . . 73.55 108.726 -178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.4 m -101.62 105.68 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.214 0.915 . . . . 64.31 108.705 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 13.9 t0 -75.35 136.43 40.82 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.627 -0.879 . . . . 75.3 108.627 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.5 t -132.69 141.11 48.43 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 121.27 0.557 . . . . 53.24 110.702 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 71' ' ' LEU . 2.0 p -119.21 124.09 72.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.125 -1.398 . . . . 53.0 108.103 171.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -133.79 146.55 50.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.635 -0.876 . . . . 73.01 108.635 169.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -132.41 131.12 41.46 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.025 -1.102 . . . . 74.44 108.025 -177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -139.55 158.56 43.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.672 1.189 . . . . 71.03 108.938 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 42.7 m -123.42 120.83 34.11 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.672 0.789 . . . . 52.51 109.424 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 34.1 mm -99.07 110.07 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.35 -0.982 . . . . 72.51 108.35 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.5 HG22 ' CD1' ' A' ' 4' ' ' PHE . 28.0 p -91.0 118.17 30.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.432 -0.581 . . . . 53.01 109.432 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.46 159.73 40.69 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.177 0.591 . . . . 73.51 110.135 177.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.89 143.16 30.43 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.312 -0.625 . . . . 61.14 109.312 170.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.52 165.45 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 115.057 -0.974 . . . . 73.44 109.636 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -113.92 152.6 45.82 Favored Pre-proline 0 N--CA 1.481 1.098 0 C-N-CA 123.141 0.576 . . . . 52.35 110.487 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.66 -30.32 69.95 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.654 2.236 . . . . 74.52 112.106 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -88.01 0.42 55.96 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.062 0.945 . . . . 62.42 112.157 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -78.51 154.52 30.41 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.152 -0.684 . . . . 75.22 109.152 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -99.71 151.7 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.727 -0.67 . . . . 62.24 109.7 169.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.452 HD13 HD22 ' B' ' 156' ' ' LEU . 26.2 mm -56.36 -17.09 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 C-N-CA 125.588 1.555 . . . . 70.32 112.008 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' B' ' 127' ' ' LYS . 0.7 OUTLIER -56.55 -29.3 61.82 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.724 0.81 . . . . 74.41 110.916 176.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 3.5 p30 -61.33 -45.74 93.15 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 123.549 0.53 . . . . 64.24 109.609 175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.11 -48.96 77.34 Favored 'Isoleucine or valine' 0 C--O 1.25 1.104 0 C-N-CA 123.835 0.854 . . . . 62.43 110.24 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' B' ' 152' ' ' ASP . 0.0 OUTLIER -63.97 -35.86 82.08 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 116.426 -0.352 . . . . 70.5 110.285 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.69 85.81 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.523 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 32.0 mmtp -69.81 -42.56 73.54 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.973 0.509 . . . . 74.44 111.824 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 27.7 pt -68.2 -30.78 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-N 118.447 0.567 . . . . 55.43 110.12 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.96 -25.17 48.03 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.673 0.789 . . . . 53.41 111.972 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.21 -41.34 25.36 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.872 0.869 . . . . 75.21 110.263 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.42 -63.31 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 114.648 -1.16 . . . . 74.23 111.136 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -101.74 -7.87 22.22 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.297 0.481 . . . . 62.55 112.297 -171.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.416 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 75.22 27.35 64.14 Favored Glycine 0 C--N 1.342 0.908 0 CA-C-O 119.631 -0.538 . . . . 65.24 113.582 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 50.3 mt -81.88 109.26 14.17 Favored Pre-proline 0 CA--C 1.557 1.23 0 C-N-CA 123.782 0.833 . . . . 75.14 110.131 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 6.8 Cg_exo -70.85 140.26 38.21 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.434 2.09 . . . . 72.33 110.475 171.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.463 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 13.8 Cg_endo -55.08 -33.32 83.22 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 123.719 2.946 . . . . 63.33 113.437 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.41 -25.56 66.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.492 1.517 . . . . 72.15 113.039 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -100.98 5.1 43.01 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.557 0.743 . . . . 71.43 111.443 -173.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -145.18 145.37 31.32 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.327 0.492 . . . . 54.34 112.327 -173.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' B' ' 173' ' ' LEU . 0.0 OUTLIER -107.07 101.55 10.96 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.231 -1.026 . . . . 51.12 108.231 170.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.457 ' HB2' HE22 ' B' ' 141' ' ' GLN . 54.4 tp -83.42 106.25 15.02 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 107.431 -1.322 . . . . 73.1 107.431 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.59 141.25 30.86 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.012 -0.736 . . . . 45.23 109.012 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' B' ' 150' ' ' LEU . 20.4 t80 -142.61 112.89 7.17 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.224 1.41 . . . . 73.35 107.24 177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 63.0 20.88 12.58 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.866 0.866 . . . . 75.42 112.791 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.13 60.29 Favored Glycine 0 C--N 1.349 1.297 0 CA-C-O 119.876 -0.402 . . . . 73.34 114.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -132.21 135.69 46.5 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.079 -0.711 . . . . 75.15 109.079 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -76.26 150.86 36.93 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 121.233 0.54 . . . . 71.21 110.073 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 145' ' ' PHE . 48.5 mt -98.45 110.32 22.93 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.42 -0.809 . . . . 60.4 110.089 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 40.6 mt-10 -65.88 128.74 37.21 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 108.47 -0.937 . . . . 74.44 108.47 172.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.562 ' HB2' ' HG2' ' B' ' 127' ' ' LYS . 8.8 p-10 -60.89 -32.45 71.91 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.388 0.675 . . . . 63.42 111.605 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.18 -1.49 90.37 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-O 119.561 -0.577 . . . . 42.15 114.429 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.0 OUTLIER -94.74 173.31 7.67 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 117.642 0.721 . . . . 73.22 109.188 -175.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 29.2 m -105.41 155.41 19.16 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.681 0.792 . . . . 72.03 111.2 -173.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.452 HD22 HD13 ' B' ' 123' ' ' ILE . 4.3 mm? -61.97 -45.43 93.69 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.795 0.838 . . . . 74.54 110.858 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.4 t -62.4 -32.56 73.4 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.264 -0.425 . . . . 71.23 112.129 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.78 -35.0 65.78 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 123.741 0.65 . . . . 64.13 111.761 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.467 ' HB2' HD12 ' B' ' 161' ' ' ILE . 94.1 m-85 -99.14 -10.84 21.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.11 -0.495 . . . . 73.11 110.587 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 9.2 t30 60.07 63.89 1.35 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.147 0.904 . . . . 73.43 110.423 -171.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.467 HD12 ' HB2' ' B' ' 159' ' ' TYR . 2.0 mp -68.15 119.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.334 -0.848 . . . . 72.53 108.996 167.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -87.04 162.5 17.56 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 121.917 0.865 . . . . 72.34 110.86 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -68.84 140.2 55.21 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.766 -0.827 . . . . 64.41 108.766 171.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.97 15.97 10.28 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.866 1.266 . . . . 60.41 111.976 -172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 46.8 t -50.78 132.6 26.49 Favored 'General case' 0 C--N 1.374 1.674 0 N-CA-C 112.681 0.622 . . . . 43.33 112.681 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -101.73 105.53 16.43 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.047 0.451 . . . . 51.43 109.941 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.464 HD12 ' N ' ' B' ' 167' ' ' LEU . 1.6 mp -102.93 163.17 12.37 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.432 -1.322 . . . . 73.1 107.432 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 9.1 tt -133.41 122.75 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.612 0.72 . . . . 73.01 110.618 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.42 107.33 15.0 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.783 -1.099 . . . . 63.33 109.615 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.98 159.36 14.96 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.634 -0.876 . . . . 73.13 108.634 169.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.51 176.0 3.73 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.904 0.882 . . . . 73.22 109.676 165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 4.3 t -54.52 91.71 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.36 0 CA-C-O 121.801 0.81 . . . . 64.11 110.927 173.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.501 ' H ' ' HD2' ' B' ' 142' ' ' ARG . 41.7 tp -168.58 141.66 2.97 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.904 -1.044 . . . . 43.1 110.321 -173.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 . . . . . 0 C--O 1.252 1.227 0 N-CA-C 108.364 -0.976 . . . . 71.2 108.364 171.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 111.795 -0.522 . . . . 55.21 111.795 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 19.9 t -145.82 37.26 1.07 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.854 0.835 . . . . 70.11 110.143 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.72 9.88 8.74 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.819 1.248 . . . . 74.03 112.179 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 46.7 p -90.36 7.93 36.06 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.38 1.072 . . . . 64.25 111.564 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.34 144.96 55.08 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.226 1.01 . . . . 75.21 111.603 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 25.0 p -162.79 120.96 2.06 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.334 0.654 . . . . 74.42 109.957 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -151.12 173.05 30.67 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.369 0.418 . . . . 40.3 112.57 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 92.9 mmm -100.37 146.86 26.47 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.485 1.114 . . . . 61.13 110.666 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 59.37 42.72 17.6 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.66 1.184 . . . . 75.12 110.768 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 36.5 t -67.77 -10.65 54.53 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 114.925 -1.034 . . . . 75.41 112.934 -172.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -72.97 -33.74 66.03 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.205 0.526 . . . . 64.34 110.013 173.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.13 -41.62 61.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.346 0.658 . . . . 62.41 109.987 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.46 -39.45 94.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.618 -0.719 . . . . 71.33 110.099 174.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -47.57 -58.07 4.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.543 1.137 . . . . 74.12 111.814 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 5.7 ptpp? -70.09 -41.42 74.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.452 -0.794 . . . . 60.33 113.133 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -59.3 -50.58 73.44 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.725 0.41 . . . . 73.02 110.576 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.71 -25.77 64.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.477 -0.783 . . . . 73.11 111.197 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -54.54 44.36 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 108.683 -0.858 . . . . 71.33 108.683 172.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 76.0 mt -60.87 -39.49 89.4 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.467 1.105 . . . . 51.43 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.83 -35.87 81.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.821 0.849 . . . . 72.43 109.708 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.71 -38.46 67.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.471 0.708 . . . . 63.21 110.775 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.445 ' HE2' HD12 ' C' ' 787' ' ' LEU . 28.4 m-85 -65.4 -34.89 79.37 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.248 0.547 . . . . 73.21 109.579 174.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -71.78 -33.31 68.49 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 115.121 -0.945 . . . . 74.5 110.403 172.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 85.6 m -64.65 -32.94 74.83 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 118.764 0.711 . . . . 62.12 109.309 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.86 -65.86 0.62 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 74.14 110.679 170.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 51.1 mt -63.67 -26.72 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 123.355 0.662 . . . . 74.44 111.73 -172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.5 tt0 -75.74 -53.78 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.367 -0.605 . . . . 74.44 109.367 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -70.28 -20.27 63.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.629 -0.714 . . . . 75.2 112.021 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 26.1 ttt -78.71 -60.71 2.27 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.928 -0.767 . . . . 73.4 108.928 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' C' ' 768' ' ' LEU . 9.6 mp -74.54 -13.67 60.7 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 112.677 0.621 . . . . 75.3 112.677 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 73' ' ' LEU . 5.3 t -64.01 -16.81 62.46 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.094 0.473 . . . . 70.32 111.401 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.473 ' ND2' HG23 ' C' ' 763' ' ' THR . 46.6 m-80 -128.65 -38.16 1.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.887 0.875 . . . . 75.4 110.251 171.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.409 HD23 HD23 ' C' ' 768' ' ' LEU . 9.7 tp -90.12 56.66 3.5 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 124.454 1.102 . . . . 64.13 108.932 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -82.3 55.31 2.83 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.168 0.987 . . . . 63.52 111.759 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 48.2 m -175.4 91.84 0.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.519 1.128 . . . . 61.11 109.053 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' C' ' 762' ' ' LEU . 1.7 pp -159.95 154.05 23.32 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 113.056 0.762 . . . . 74.23 113.056 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.5 t -74.85 159.28 32.09 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.136 0.574 . . . . 62.21 110.93 174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.441 ' O ' HD12 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -56.76 -42.27 79.05 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.667 1.187 . . . . 72.21 110.038 170.109 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -49.39 -44.38 44.98 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.733 0.813 . . . . 75.54 111.93 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' C' ' 776' ' ' MET . 27.0 mtp85 -61.12 -63.78 1.18 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.147 0.904 . . . . 63.53 110.564 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.94 -23.46 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 123.831 0.707 . . . . 74.5 112.26 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.591 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 56.4 t80 -62.79 -55.18 28.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.252 -0.647 . . . . 74.31 109.252 169.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.16 -37.77 78.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 123.811 0.694 . . . . 64.12 111.511 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 95.7 mmm -59.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.41 -0.813 . . . . 64.04 109.839 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.591 ' HB3' HD11 ' C' ' 790' ' ' ILE . 10.1 mp -55.67 -32.52 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.815 -0.63 . . . . 75.54 112.646 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.467 ' O ' HG12 ' C' ' 781' ' ' VAL . 10.7 mmm180 -63.23 -52.77 60.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.162 0.585 . . . . 75.31 111.134 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.51 93.68 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.736 -0.386 . . . . 62.52 110.041 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.0 -39.87 93.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.291 0.478 . . . . 71.54 112.291 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' O ' ' C' ' 778' ' ' ARG . 3.9 p -75.51 -34.16 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 116.022 -0.535 . . . . 74.44 111.161 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 22.3 m -88.66 -23.77 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 113.121 0.786 . . . . 74.3 113.121 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.5 p -72.08 -21.51 61.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.253 0.549 . . . . 72.14 111.08 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -117.58 179.32 17.26 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-N 114.867 -1.061 . . . . 63.21 111.871 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.23 -3.18 13.5 Favored 'Trans proline' 0 C--N 1.369 1.639 0 C-N-CA 122.739 2.293 . . . . 71.03 112.174 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -41.44 101.23 0.02 OUTLIER 'General case' 0 C--N 1.352 0.698 0 C-N-CA 126.329 1.852 . . . . 71.34 112.676 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . 0.445 HD12 ' HE2' ' C' ' 754' ' ' PHE . 30.7 mt 57.16 11.38 1.03 Allowed 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.375 1.07 . . . . 54.13 113.77 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.27 -70.33 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.492 1.117 . . . . 61.41 110.266 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.72 131.43 2.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.428 1.091 . . . . 70.03 108.533 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' C' ' 777' ' ' LEU . 15.4 pt -79.87 154.4 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.556 0.742 . . . . 61.42 110.006 169.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.73 173.51 6.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.172 -0.922 . . . . 72.52 109.602 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.2 -40.88 48.46 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 124.326 1.051 . . . . 70.35 112.359 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -60.57 -44.06 96.6 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.341 0.656 . . . . 74.34 111.405 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.4 -56.38 14.69 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.64 0.776 . . . . 73.21 110.217 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.591 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -53.16 -61.33 2.37 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 125.937 1.695 . . . . 52.32 111.195 -176.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -58.51 -47.37 84.35 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.043 1.337 . . . . 44.4 111.084 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -59.61 -33.69 78.28 Favored Glycine 0 CA--C 1.536 1.345 0 O-C-N 123.319 0.387 . . . . 43.15 113.552 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -72.08 -52.36 17.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.897 0.879 . . . . 71.31 109.953 -176.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 55.5 mt -59.71 -39.78 85.77 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.12 -1.4 . . . . 72.43 111.094 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.8 OUTLIER -57.13 -52.73 64.13 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.565 1.165 . . . . 75.34 108.872 177.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . 0.438 ' HD3' ' O ' ' C' ' 801' ' ' LYS . 0.4 OUTLIER -55.85 -49.58 72.94 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 124.506 1.129 . . . . 74.11 109.378 179.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.609 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 73.2 mmtt -54.68 -40.64 69.32 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 112.329 0.492 . . . . 75.2 112.329 178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 89.2 t -69.78 -37.54 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 0 C-N-CA 123.111 0.565 . . . . 60.35 111.441 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 11.5 mmm180 -67.68 -38.24 83.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.199 0.6 . . . . 75.21 111.304 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -83.85 -1.25 54.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.265 1.426 . . . . 72.43 111.476 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 66.08 16.94 10.64 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.581 1.552 . . . . 73.14 111.464 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -81.59 -11.38 59.15 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.397 1.479 . . . . 74.13 110.894 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.9 OUTLIER -147.16 142.89 27.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.484 -0.932 . . . . 54.05 108.484 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.0 t -105.45 120.27 55.93 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 123.378 0.671 . . . . 63.31 109.623 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -97.18 110.58 23.1 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.379 1.071 . . . . 73.24 108.189 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 29.4 t -87.59 -144.96 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.569 -0.9 . . . . 73.2 108.569 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.54 75.49 1.07 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.648 0.658 . . . . 64.21 110.757 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.46 14.07 81.25 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 115.554 -0.748 . . . . 74.54 113.754 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.17 146.67 32.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 122.969 0.507 . . . . 72.12 109.906 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -99.31 148.86 23.72 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 123.248 0.619 . . . . 75.13 110.863 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -158.06 141.78 15.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.89 -1.504 . . . . 72.3 109.7 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.8 mt -82.88 131.35 54.53 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 119.421 -0.323 . . . . 70.23 110.939 173.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.68 148.0 32.19 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.696 2.264 . . . . 71.41 111.385 172.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -93.4 -25.13 17.81 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.66 0.784 . . . . 73.02 110.634 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -113.84 148.93 35.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.773 0.829 . . . . 73.24 109.009 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.47 168.3 16.63 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.167 0.587 . . . . 63.15 110.199 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.558 1.275 0 C-N-CA 124.011 0.924 . . . . 61.11 110.358 -179.277 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.895 -0.482 . . . . 73.33 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.6 ' HG3' HG22 ' B' ' 161' ' ' ILE . 1.4 pmm? -158.18 -169.99 2.98 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.764 0.792 . . . . 74.12 109.653 177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -138.62 158.7 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 125.189 1.395 . . . . 74.02 107.879 175.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.422 HD11 HD11 ' B' ' 115' ' ' LEU . 19.3 pt -134.56 163.83 35.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 CA-C-O 121.576 0.703 . . . . 75.34 110.81 175.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -119.36 103.72 9.72 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.135 -1.431 . . . . 70.51 107.135 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.7 t -91.87 95.03 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 108.085 -1.08 . . . . 73.24 108.085 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.59 97.51 0.79 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.623 0.769 . . . . 75.1 109.652 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.508 HG22 HD23 ' B' ' 169' ' ' LEU . 40.0 p -88.06 107.26 18.66 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 108.806 -0.813 . . . . 64.24 108.806 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.84 123.29 56.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-N 115.189 -0.914 . . . . 65.24 109.392 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 24.3 mp0 -103.35 82.92 2.11 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.121 -1.437 . . . . 64.33 107.121 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.41 ' CE3' HG22 ' B' ' 108' ' ' VAL . 29.5 t-105 -97.99 104.17 16.18 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 106.628 -1.619 . . . . 72.5 106.628 173.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -160.26 133.61 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.509 0.559 . . . . 70.31 112.509 -165.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 9.6 m -76.38 109.93 10.48 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.665 0.786 . . . . 72.12 109.392 173.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 18.9 mm -93.59 154.36 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 108.711 -0.848 . . . . 61.33 108.711 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -117.98 129.33 55.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.327 -0.619 . . . . 60.1 109.327 172.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.36 169.94 16.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.231 1.012 . . . . 65.31 108.447 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.713 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 4.3 tm-20 -121.82 134.58 54.9 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.969 -0.752 . . . . 73.5 108.969 -172.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.06 175.42 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.53 0.732 . . . . 65.42 111.94 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 72.0 mm-40 -107.42 150.86 40.58 Favored Pre-proline 0 N--CA 1.472 0.672 0 CA-C-N 115.258 -0.883 . . . . 74.54 109.606 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.26 -42.06 30.85 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 122.416 2.078 . . . . 62.12 112.031 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -87.81 2.05 52.36 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.053 0.541 . . . . 62.21 111.37 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.788 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 2.0 t70 -79.33 165.43 23.16 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.575 -0.898 . . . . 72.11 108.575 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -92.91 164.1 13.44 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.469 0.708 . . . . 73.13 111.209 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.679 HG21 ' HB3' ' A' ' 50' ' ' LEU . 29.7 mm -75.58 -19.81 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-N 115.09 -0.959 . . . . 73.22 110.525 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.93 -23.01 64.94 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.929 0.892 . . . . 62.43 110.854 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 57.9 t-20 -53.63 -62.49 1.62 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.312 1.445 . . . . 75.24 109.584 169.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.23 -42.12 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.884 -1.053 . . . . 60.43 110.23 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.537 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 35.5 ttpt -53.68 -52.44 60.0 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.523 1.14 . . . . 70.15 111.566 177.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.78 69.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.517 -0.765 . . . . 65.43 111.531 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.9 mmtp -63.95 -50.37 68.9 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.017 0.527 . . . . 72.52 111.088 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 pt -69.29 -31.62 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.357 0.263 . . . . 75.43 110.381 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.46 -34.74 72.77 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.76 0.314 . . . . 74.31 111.091 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -74.58 -48.9 23.99 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.484 0.659 . . . . 61.34 110.866 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -84.47 -59.1 2.48 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.607 -1.179 . . . . 71.23 111.105 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.47 -28.67 31.07 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.284 0.634 . . . . 71.43 110.637 -174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.41 16.09 69.77 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 115.485 -0.78 . . . . 52.43 112.852 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 71.0 mt -70.67 117.17 52.98 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.05 0.54 . . . . 53.21 109.777 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.7 Cg_exo -77.76 118.79 4.59 Favored 'Trans proline' 0 CA--C 1.558 1.711 0 C-N-CA 123.244 2.63 . . . . 72.22 111.634 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HB3' ' HG3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -56.24 -41.89 71.83 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 124.171 3.247 . . . . 73.12 114.834 -176.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.39 -27.78 66.31 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.659 0.784 . . . . 71.51 112.779 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' A' ' 37' ' ' PRO . 20.8 pt20 -116.41 18.17 15.25 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.103 0.561 . . . . 62.14 111.713 -176.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 38' ' ' PRO . 2.1 pt20 -113.09 147.4 37.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.383 0.611 . . . . 75.21 110.335 175.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.731 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 16.0 mtp180 -113.19 92.06 3.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.066 -1.087 . . . . 64.23 108.066 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -78.32 116.09 18.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.288 -1.005 . . . . 71.31 108.288 179.057 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mt -126.64 135.0 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 118.159 0.436 . . . . 74.32 110.74 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 45.1 t80 -131.54 112.06 12.3 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 125.348 1.459 . . . . 75.44 108.522 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.44 21.6 8.62 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.296 0.997 . . . . 44.22 112.468 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.5 13.2 54.59 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 114.829 0.692 . . . . 71.02 114.829 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -123.64 145.47 48.92 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 117.603 0.701 . . . . 64.11 110.5 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 132.9 35.19 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.963 0.905 . . . . 74.24 110.996 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.679 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.5 mm? -91.05 108.29 19.77 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.574 0.75 . . . . 64.52 109.294 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 40.7 mt-10 -85.72 135.29 33.81 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.188 -1.042 . . . . 74.02 108.188 171.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 3.5 p-10 -63.81 -36.9 85.43 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.945 0.403 . . . . 71.14 111.345 -170.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 14.59 48.71 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.156 -0.475 . . . . 71.05 113.32 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tpt180 -98.7 165.07 11.97 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.612 -1.255 . . . . 74.41 107.612 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -96.96 157.61 15.82 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.527 0.603 . . . . 55.33 110.19 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.8 -37.99 80.7 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.258 -0.645 . . . . 73.44 109.258 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.3 p -67.01 -28.92 68.64 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.497 1.119 . . . . 71.35 112.66 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.85 -37.95 69.43 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.286 0.565 . . . . 51.4 110.494 174.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.9 m-85 -94.73 -0.01 54.62 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 114.958 -1.019 . . . . 73.21 111.076 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 t30 59.77 36.5 22.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 122.114 0.959 . . . . 54.22 110.404 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' A' ' 59' ' ' TYR . 38.5 mt -66.03 115.97 4.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.815 -1.084 . . . . 41.43 111.13 -176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.8 -170.89 1.79 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.536 1.134 . . . . 70.5 109.865 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.8 ttmt -72.59 143.91 48.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.844 0.457 . . . . 74.01 110.102 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.516 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 42.5 mt-10 60.43 26.54 16.12 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.632 1.573 . . . . 74.43 113.227 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.9 m -75.05 122.42 23.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.847 0.459 . . . . 63.42 110.632 177.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.52 127.9 40.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.502 0.721 . . . . 72.2 111.073 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -126.81 133.85 50.69 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.151 -1.425 . . . . 72.44 107.151 177.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 tt -99.82 137.9 25.86 Favored 'Isoleucine or valine' 0 C--O 1.253 1.27 0 CA-C-O 121.521 0.677 . . . . 62.24 110.116 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.511 HD23 ' HG ' ' A' ' 43' ' ' LEU . 64.6 mt -98.92 104.23 16.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.454 -1.248 . . . . 60.22 108.299 174.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.731 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 78.7 mt -92.56 158.78 15.81 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.365 -0.976 . . . . 72.43 108.365 176.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.5 tp -100.47 168.91 9.44 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 109.125 -0.694 . . . . 72.21 109.125 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.87 109.48 0.2 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.419 1.088 . . . . 70.33 110.76 170.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' C' ' 760' ' ' ALA . 4.3 tt -82.13 -72.22 0.45 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.887 -1.153 . . . . 74.14 107.887 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 0 N-CA-C 108.164 -1.05 . . . . 65.13 108.164 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.227 -0.749 . . . . 65.23 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -156.31 158.93 38.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.358 0.663 . . . . 54.34 111.22 -175.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.713 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 16.1 mp0 -109.66 123.57 49.7 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.67 -1.233 . . . . 73.51 107.67 -175.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.2 pt -120.48 165.85 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 123.112 0.565 . . . . 74.13 110.966 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 12.6 m-85 -110.24 124.94 52.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.323 -0.853 . . . . 61.43 108.847 -176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.5 108.04 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 107.888 -1.152 . . . . 70.35 107.888 172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 8.5 t0 -74.54 102.39 4.5 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.487 -0.931 . . . . 63.42 108.487 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.461 ' HA ' HD12 ' A' ' 69' ' ' LEU . 62.2 p -90.46 140.79 29.4 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.632 1.173 . . . . 73.35 111.273 -172.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.432 HG11 ' OD1' ' C' ' 764' ' ' ASN . 44.8 t -116.61 109.17 27.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 O-C-N 124.518 1.136 . . . . 75.02 109.051 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.652 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 1.8 mp0 -115.98 139.47 50.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.325 -1.361 . . . . 65.42 107.325 169.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -135.89 132.85 37.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.96 -1.496 . . . . 74.13 106.96 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -150.86 123.04 8.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.97 0.794 . . . . 74.52 109.571 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 124.44 31.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.796 0.438 . . . . 71.11 109.886 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mm -100.26 111.24 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 N-CA-C 108.617 -0.882 . . . . 74.01 108.617 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.5 m -93.54 119.99 33.27 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.594 -0.521 . . . . 24.01 109.594 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -137.96 168.57 19.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.202 0.601 . . . . 53.3 110.106 176.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 6.2 mp0 -106.15 150.26 26.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.744 0.818 . . . . 75.01 109.376 174.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.45 HG13 ' SD ' ' A' ' 1' ' ' MET . 7.2 p -152.51 164.07 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.936 0.772 . . . . 61.43 109.147 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -113.81 152.3 45.46 Favored Pre-proline 0 N--CA 1.481 1.118 0 C-N-CA 123.084 0.554 . . . . 74.03 110.648 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.2 -29.52 64.57 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 123.136 2.557 . . . . 75.42 112.806 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 24.7 m -78.71 -17.59 55.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.813 0.845 . . . . 62.02 112.117 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.73 156.96 28.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.657 0.383 . . . . 61.45 110.51 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 3.3 p -86.57 158.08 19.59 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.211 0.605 . . . . 72.13 110.751 173.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 27.4 mm -61.86 -25.48 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.143 0 CA-C-N 114.918 -1.037 . . . . 65.14 109.48 168.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' B' ' 152' ' ' ASP . 7.9 tt0 -48.7 -33.22 9.72 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.82 1.248 . . . . 64.12 112.74 173.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -43.71 93.21 Favored 'General case' 0 CA--C 1.552 1.034 0 O-C-N 123.505 0.503 . . . . 74.22 110.446 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.42 ' HA ' ' HG2' ' B' ' 129' ' ' LYS . 24.9 t -68.24 -40.57 82.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.161 0.584 . . . . 50.41 110.233 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -55.9 -51.09 68.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.017 0.927 . . . . 71.43 110.911 172.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -32.25 71.82 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 114.56 -1.2 . . . . 71.52 111.373 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' B' ' 126' ' ' VAL . 0.5 OUTLIER -79.36 -36.81 38.76 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 119.054 -0.498 . . . . 72.33 111.785 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.423 ' HB ' HD12 ' B' ' 136' ' ' ILE . 29.9 pt -70.0 -31.51 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.847 0.749 . . . . 32.11 110.145 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.56 -45.84 71.02 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.012 0.525 . . . . 74.33 110.621 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.49 -49.87 75.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.908 0.883 . . . . 72.13 110.694 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 133' ' ' LYS . 10.5 mmpt? -79.5 -69.86 0.55 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.396 -1.274 . . . . 74.44 111.105 -177.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.428 ' HB2' HG13 ' B' ' 136' ' ' ILE . 12.2 mm-40 -91.56 -6.79 51.83 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 111.886 0.328 . . . . 75.54 111.886 -164.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.8 32.56 63.81 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.339 0.399 . . . . 63.11 112.655 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' B' ' 134' ' ' GLU . 80.2 mt -85.95 116.09 64.36 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.671 0.788 . . . . 74.2 109.849 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.524 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 37.9 Cg_endo -69.2 133.95 27.92 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.168 1.912 . . . . 71.55 111.66 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.524 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 2.0 Cg_endo -43.66 -38.34 9.15 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.809 3.672 . . . . 54.23 114.039 171.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.31 -37.71 88.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.972 -1.467 . . . . 72.32 111.985 -176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 137' ' ' PRO . 21.1 mt-30 -106.09 -0.46 24.75 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.419 0.896 . . . . 75.1 113.419 -171.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.425 ' HB2' HD11 ' B' ' 169' ' ' LEU . 5.4 pp0? -85.39 145.13 27.62 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.748 -0.464 . . . . 72.23 109.748 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' B' ' 173' ' ' LEU . 0.2 OUTLIER -130.33 70.72 1.44 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.008 -1.478 . . . . 74.1 107.008 176.329 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 101.21 5.95 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.036 -1.098 . . . . 71.2 108.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.23 149.74 23.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.861 0.864 . . . . 54.23 110.349 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' B' ' 150' ' ' LEU . 14.4 t80 -138.91 102.62 4.59 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 107.453 -1.314 . . . . 73.11 107.453 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.48 10.56 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.367 1.067 . . . . 33.5 113.199 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.3 17.59 36.38 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-O 119.809 -0.439 . . . . 74.03 113.958 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 3.8 ptpp? -141.26 123.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.39 -0.596 . . . . 74.42 109.39 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 154.78 39.39 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.817 0.341 . . . . 72.45 110.856 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -98.71 118.86 36.39 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.777 -0.823 . . . . 73.23 108.777 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -77.8 132.09 37.89 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.42 -0.955 . . . . 73.52 108.42 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.597 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 5.5 p-10 -60.56 -29.48 69.18 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.711 0.632 . . . . 74.12 111.602 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -74.49 5.95 26.33 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.354 -0.839 . . . . 60.12 114.341 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -112.77 173.54 6.33 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 117.654 0.727 . . . . 72.3 109.71 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 9.9 m -103.81 163.27 12.45 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 124.255 1.022 . . . . 73.12 109.931 -173.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.56 -43.72 89.0 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.719 -0.475 . . . . 74.2 109.719 171.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.1 t -67.04 -25.72 66.41 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.983 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.94 -31.27 68.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.34 0.656 . . . . 64.32 111.607 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.458 ' HB2' HD12 ' B' ' 161' ' ' ILE . 89.5 m-85 -106.68 -7.27 17.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.828 0.451 . . . . 74.22 110.384 176.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 51.71 62.59 2.63 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.469 1.107 . . . . 62.21 111.104 -170.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.6 HG22 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -58.51 124.79 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 115.726 -0.67 . . . . 74.41 109.904 173.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -79.15 154.13 29.54 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 121.68 0.752 . . . . 60.21 109.849 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.52 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 16.9 ptmt -61.47 129.37 40.83 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 108.399 -0.963 . . . . 51.21 108.399 168.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 2' ' ' GLN . 39.2 mt-10 70.75 30.6 2.93 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 124.375 1.047 . . . . 74.12 110.628 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.5 m -52.12 144.96 11.25 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 122.746 0.418 . . . . 63.44 111.578 164.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -114.53 117.84 32.07 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.211 -0.663 . . . . 75.42 109.211 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 167' ' ' LEU . 0.3 OUTLIER -130.32 128.99 42.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 107.809 -1.182 . . . . 44.0 107.809 -173.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 18.9 pt -99.5 116.89 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 121.538 0.685 . . . . 72.31 109.934 -175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 7' ' ' THR . 45.2 tp -82.37 99.16 9.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.261 -0.644 . . . . 74.43 109.261 174.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -95.41 161.91 13.88 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.695 1.198 . . . . 72.33 109.926 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.08 162.71 20.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.666 0.386 . . . . 73.14 111.283 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 7.7 t -44.35 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.532 1.533 . . . . 60.03 114.394 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.444 ' H ' ' HD2' ' B' ' 142' ' ' ARG . 62.8 tp 173.98 -63.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.273 1.429 . . . . 70.23 107.702 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.338 -1.315 . . . . 73.2 108.885 -175.336 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.639 -0.584 . . . . 63.11 111.639 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 20.9 p -67.63 110.75 3.84 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.296 0.638 . . . . 61.44 111.186 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -156.74 122.29 4.75 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.49 0.716 . . . . 72.43 110.224 173.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.0 t -135.17 -36.51 0.81 Allowed 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.627 0.771 . . . . 72.54 109.836 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 30.7 t70 68.33 158.92 0.16 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.149 1.379 . . . . 71.23 111.172 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 23.0 t -130.51 125.99 35.71 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.251 -1.389 . . . . 74.52 107.251 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -123.83 96.43 0.53 Allowed Glycine 0 C--N 1.344 1.008 0 O-C-N 123.454 0.471 . . . . 65.1 112.351 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 89.6 mtp -83.36 155.63 23.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.241 -1.022 . . . . 75.13 108.241 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 64.75 30.48 12.35 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.793 0.837 . . . . 73.5 110.403 -170.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . 0.6 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 23.0 t -69.52 -12.47 61.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.094 -0.957 . . . . 30.14 112.445 -175.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -40.22 64.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.184 0.593 . . . . 62.23 110.07 168.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -87.13 -50.8 6.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.747 -0.661 . . . . 74.15 110.899 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.6 ' HB3' ' HA ' ' C' ' 742' ' ' SER . 23.8 t70 -59.25 -54.97 40.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.501 1.121 . . . . 75.15 112.4 -171.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -44.72 -51.7 9.03 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.301 1.041 . . . . 63.12 112.13 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -71.95 -49.27 38.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.707 -1.133 . . . . 75.03 112.27 -168.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.66 -35.87 77.29 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 123.789 0.68 . . . . 64.34 110.646 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.43 -40.25 64.38 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 111.82 0.304 . . . . 64.14 111.82 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.81 -26.7 44.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.277 0.231 . . . . 73.52 110.839 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.448 ' HG ' ' HE2' ' C' ' 798' ' ' TYR . 2.8 mp -65.99 -47.72 73.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.04 0.536 . . . . 63.03 109.786 169.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.75 -37.21 86.5 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.829 0.705 . . . . 72.41 109.519 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -44.93 83.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.46 0.704 . . . . 72.23 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.631 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 21.0 m-30 -59.27 -41.68 89.44 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 123.697 0.623 . . . . 63.25 110.023 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.411 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 32.1 t-105 -68.29 -29.38 68.14 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.121 -0.945 . . . . 74.52 111.092 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 86.0 m -67.62 -38.03 83.35 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.261 0.482 . . . . 42.41 110.001 174.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.631 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 45.3 m-85 -62.64 -55.89 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.862 -0.422 . . . . 72.13 109.862 175.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.818 HD11 HD11 ' C' ' 777' ' ' LEU . 47.9 mt -64.16 -42.72 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.038 0.935 . . . . 65.34 111.296 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.48 -55.43 15.62 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.897 -0.779 . . . . 72.45 108.897 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -67.16 -26.48 66.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 123.771 0.669 . . . . 75.35 112.792 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.554 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.7 ppp? -75.06 -52.33 11.31 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.564 -0.902 . . . . 71.32 108.564 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.44 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 80.8 mt -68.82 -13.5 62.45 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.811 0.845 . . . . 74.21 113.013 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 50.5 m -53.96 -34.01 58.51 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.415 1.086 . . . . 64.41 110.544 175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' B' ' 108' ' ' VAL . 1.9 p30 -123.21 -38.12 2.62 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.254 1.422 . . . . 63.04 110.294 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' C' ' 761' ' ' MET . 53.5 mt -83.7 46.78 1.2 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.789 1.235 . . . . 72.45 110.838 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' C' ' 816' ' ' ARG . 0.1 OUTLIER -66.47 93.57 0.24 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.627 -0.715 . . . . 70.41 109.338 -178.028 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . 0.409 ' O ' HD23 ' C' ' 768' ' ' LEU . 64.9 m 119.06 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 128.017 2.527 . . . . 63.33 111.132 169.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.46 ' HB3' ' HD2' ' C' ' 772' ' ' ARG . 54.9 mt -128.35 143.85 51.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.02 0.528 . . . . 73.13 110.523 175.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 49.1 m -60.08 151.64 26.16 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.816 0.846 . . . . 71.05 111.85 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.33 -23.11 63.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 114.8 -1.091 . . . . 74.11 111.644 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -54.72 -51.55 65.24 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.061 0.545 . . . . 64.14 111.02 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.46 ' HD2' ' HB3' ' C' ' 768' ' ' LEU . 62.7 mtt180 -61.53 -56.65 17.66 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.913 0.885 . . . . 71.13 110.919 -176.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -38.44 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 115.457 -0.792 . . . . 62.32 111.327 -176.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 64.9 t80 -63.07 -45.99 89.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.524 0.33 . . . . 75.3 110.205 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -41.19 92.45 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 123.694 0.621 . . . . 73.54 111.32 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 28.4 mtm -64.63 -52.44 57.41 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.534 0.521 . . . . 55.11 110.368 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.818 HD11 HD11 ' C' ' 758' ' ' ILE . 26.4 mt -53.79 -39.65 65.64 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.242 0.617 . . . . 74.34 111.195 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.403 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.9 tpt180 -67.16 -43.35 82.51 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.081 -0.963 . . . . 70.14 110.106 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -54.34 38.59 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 123.721 0.638 . . . . 73.0 110.095 171.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.19 -23.03 61.96 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.57 HG11 HG12 ' C' ' 790' ' ' ILE . 2.2 p -84.35 -33.45 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.124 0.17 . . . . 75.31 110.915 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.3 p -85.76 -26.14 6.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 C-N-CA 122.239 0.216 . . . . 72.42 111.462 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 14.7 p -70.01 -21.8 63.17 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 111.947 0.351 . . . . 73.25 111.947 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -122.46 179.9 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.233 -0.747 . . . . 71.41 111.233 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.95 8.02 4.29 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.822 2.348 . . . . 64.33 112.954 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -44.65 111.42 0.31 Allowed 'General case' 0 C--N 1.355 0.816 0 C-N-CA 126.121 1.768 . . . . 61.21 113.518 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 17.9 mt 60.83 9.96 2.49 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.294 1.038 . . . . 71.12 113.706 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 57.38 38.66 28.48 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.886 0.874 . . . . 32.31 111.094 -170.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 72.23 127.71 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.04 1.736 . . . . 62.43 111.805 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.57 HG12 HG11 ' C' ' 781' ' ' VAL . 2.7 pt -69.67 167.73 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.628 1.171 . . . . 62.33 111.438 173.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.58 166.9 17.15 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.009 -0.996 . . . . 61.13 108.468 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.36 -38.89 92.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.864 0.865 . . . . 65.11 112.138 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -36.02 82.93 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.076 0.465 . . . . 72.25 110.388 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.71 -35.68 51.82 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.172 -0.922 . . . . 61.04 109.813 -176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.563 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.76 -57.61 7.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.989 1.316 . . . . 71.44 109.374 177.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -60.93 -41.43 96.17 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 113.656 -1.611 . . . . 71.54 110.189 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.0 92.76 Favored Glycine 0 C--N 1.345 1.067 0 O-C-N 124.188 0.93 . . . . 55.24 113.473 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.448 ' HE2' ' HG ' ' C' ' 751' ' ' LEU . 16.9 t80 -64.09 -53.43 49.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.59 0.71 . . . . 62.43 110.117 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.45 ' O ' HG23 ' C' ' 803' ' ' VAL . 15.4 mt -64.65 -33.17 75.32 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.619 -1.173 . . . . 55.05 111.768 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . 0.522 ' O ' ' HD3' ' C' ' 804' ' ' ARG . 10.8 tt0 -59.33 -52.85 63.88 Favored 'General case' 0 C--O 1.217 -0.624 0 O-C-N 124.314 1.009 . . . . 65.13 108.637 173.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.32 85.58 Favored 'General case' 0 C--O 1.215 -0.723 0 O-C-N 124.292 0.995 . . . . 50.51 110.705 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.646 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 2.5 mptp? -59.27 -43.8 92.49 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.216 0.947 . . . . 52.13 112.536 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.45 HG23 ' O ' ' C' ' 799' ' ' LEU . 72.9 t -61.1 -43.1 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 118.507 0.594 . . . . 74.13 110.382 174.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . 0.522 ' HD3' ' O ' ' C' ' 800' ' ' GLN . 10.9 mpt_? -74.64 -18.13 60.59 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.3 1.04 . . . . 73.33 111.767 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.87 -6.96 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.218 1.007 . . . . 72.23 109.896 175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 66.61 14.01 9.57 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 125.882 1.673 . . . . 62.13 111.16 -171.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -80.57 -26.84 37.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.292 1.437 . . . . 71.32 111.192 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.646 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.3 OUTLIER -123.88 143.25 50.47 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.869 0.868 . . . . 65.13 110.034 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . 0.61 ' HB ' ' HG3' ' C' ' 816' ' ' ARG . 78.7 t -108.47 133.34 53.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 107.761 -1.2 . . . . 75.43 107.761 164.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -113.0 111.26 21.87 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.977 -1.12 . . . . 64.34 107.977 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -88.54 -147.53 0.16 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.181 -1.044 . . . . 75.54 108.181 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.88 77.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.974 0.806 . . . . 75.2 110.794 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.79 15.27 79.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.703 -0.68 . . . . 73.4 113.658 174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 20.1 m -126.13 141.03 46.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.111 0.564 . . . . 72.51 109.722 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -96.39 143.52 27.36 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.219 0.607 . . . . 71.01 110.585 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.668 ' HB2' ' HG2' ' C' ' 766' ' ' GLU . 2.8 ptp180 -151.93 141.33 21.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.862 -1.063 . . . . 73.03 108.413 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 95.0 mt -81.08 131.0 60.71 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 108.805 -0.813 . . . . 75.33 108.805 176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . 0.442 ' HD3' HG23 ' C' ' 809' ' ' VAL . 8.9 Cg_endo -56.01 -37.26 96.43 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.081 2.521 . . . . 61.31 112.243 174.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 60.71 -162.83 0.26 Allowed 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.552 1.158 . . . . 62.34 110.646 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 46.78 -159.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.674 1.589 . . . . 74.1 113.59 172.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 93.7 m -132.52 119.27 20.33 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 124.033 0.933 . . . . 71.43 108.504 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.253 1.261 0 C-N-CA 123.418 0.687 . . . . 72.3 109.265 177.065 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 110.921 -0.871 . . . . 53.42 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.86 158.6 44.29 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.496 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 14.4 mp0 -107.45 167.56 9.85 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.233 0.469 . . . . 70.12 111.592 -171.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' B' ' 165' ' ' SER . 21.5 pt -142.09 161.44 20.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 C-N-CA 123.899 0.88 . . . . 75.32 110.031 171.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' HD23 ' B' ' 167' ' ' LEU . 38.1 m-85 -119.11 110.51 17.15 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 124.344 1.058 . . . . 73.31 109.463 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 55.8 t -93.47 96.69 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.714 -0.847 . . . . 74.32 108.714 -174.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 5.8 m-20 -75.32 96.41 3.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.89 0.876 . . . . 63.42 108.875 -175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.447 HG23 ' HB2' ' B' ' 111' ' ' LYS . 7.8 t -91.64 110.31 21.63 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.258 -0.645 . . . . 74.14 109.258 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.501 HG21 HD12 ' C' ' 765' ' ' LEU . 7.2 p -111.96 133.33 57.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.477 0.656 . . . . 53.32 110.377 178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -101.71 93.78 5.51 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 107.204 -1.406 . . . . 54.11 107.204 169.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -104.2 103.87 13.7 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 106.401 -1.703 . . . . 75.05 106.401 167.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -161.03 139.04 9.52 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.657 0.598 . . . . 74.32 111.602 -167.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 4.0 m -85.4 124.57 32.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.774 0.829 . . . . 55.45 109.669 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 44.5 mm -95.19 141.82 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 109.309 -0.626 . . . . 72.33 109.309 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -111.09 121.89 46.49 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.255 -0.646 . . . . 74.54 109.255 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD21 HG23 ' B' ' 105' ' ' VAL . 1.2 pt? -137.53 166.85 22.9 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.77 0.828 . . . . 34.52 108.839 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -109.64 148.89 30.54 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.385 0.674 . . . . 55.12 109.57 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.93 162.76 2.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 CA-C-N 114.743 -1.117 . . . . 70.15 108.16 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.06 151.08 57.84 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 109.067 -0.716 . . . . 61.34 109.067 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.62 -23.52 76.01 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.603 2.202 . . . . 64.53 112.934 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -80.87 -12.23 59.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.307 0.643 . . . . 41.11 112.712 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.35 158.85 33.23 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.616 0.366 . . . . 70.24 110.687 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 1.6 p -88.41 165.07 15.19 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.455 0.702 . . . . 65.33 110.812 169.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 50' ' ' LEU . 34.1 mm -74.56 -26.55 20.12 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-N 115.4 -0.818 . . . . 73.13 110.179 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.79 -30.1 71.09 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.037 0.535 . . . . 71.23 110.399 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 37.7 t30 -57.46 -48.78 78.28 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 123.633 0.583 . . . . 73.03 109.621 171.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.9 t -66.26 -42.3 90.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 C-N-CA 123.933 0.893 . . . . 64.11 111.011 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -64.95 -33.87 77.07 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 120.961 0.41 . . . . 74.33 110.024 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.71 64.61 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.795 -0.639 . . . . 73.21 111.498 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 74.1 mmtt -64.93 -50.07 67.93 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.112 0.565 . . . . 72.13 109.873 177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.563 HG21 HD11 ' A' ' 69' ' ' LEU . 2.6 pp -69.63 -32.12 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 122.316 0.246 . . . . 72.51 111.232 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -65.81 -42.84 90.14 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.853 0.359 . . . . 73.42 111.083 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.17 -46.35 56.74 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.489 -0.778 . . . . 74.43 111.256 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -90.8 -50.91 5.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.895 -1.048 . . . . 72.42 111.723 -170.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.655 ' HG2' HG21 ' B' ' 107' ' ' THR . 2.7 mp0 -85.97 -29.38 23.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.325 -0.25 . . . . 71.52 110.325 -176.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.95 30.91 21.99 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.088 0.242 . . . . 74.12 113.215 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 HD13 ' A' ' 69' ' ' LEU . 48.8 mt -92.64 120.13 67.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 123.415 0.686 . . . . 75.13 110.041 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -61.22 121.22 9.3 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.124 2.549 . . . . 70.24 111.962 175.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 19.4 Cg_endo -55.48 -32.52 82.72 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 123.953 3.102 . . . . 65.43 113.687 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.19 -44.13 96.26 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 124.217 0.948 . . . . 63.33 111.672 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -79.88 -14.58 58.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.346 0.658 . . . . 72.11 111.642 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -85.97 139.78 30.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.393 1.477 . . . . 73.12 110.762 -177.111 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -146.32 97.77 2.98 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.098 0.959 . . . . 75.02 108.864 169.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -77.62 129.19 35.28 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.223 1.009 . . . . 73.05 110.091 -178.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mt -128.87 136.57 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 N-CA-C 108.859 -0.793 . . . . 63.34 108.859 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HB3' HD21 ' A' ' 50' ' ' LEU . 11.0 t80 -129.22 119.69 24.48 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.289 1.436 . . . . 71.11 108.24 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 18.62 7.71 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.273 0.983 . . . . 65.01 112.643 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.02 14.92 53.97 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 114.236 0.454 . . . . 34.03 114.236 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -125.87 130.28 51.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.765 0.826 . . . . 61.5 110.079 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -72.27 140.58 48.68 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.369 0.668 . . . . 75.31 111.484 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.52 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.8 mm? -97.82 98.01 9.47 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 124.241 1.016 . . . . 54.41 108.717 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -82.82 129.04 34.94 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.84 -0.8 . . . . 61.34 108.84 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 9.7 p-10 -59.87 -27.46 66.7 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.982 1.313 . . . . 74.11 113.765 -165.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -2.1 81.54 Favored Glycine 0 N--CA 1.471 1.027 0 N-CA-C 114.254 0.461 . . . . 53.52 114.254 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -86.61 178.45 7.06 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.353 0.661 . . . . 73.22 110.565 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 19.8 m -110.54 156.94 20.2 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.873 1.269 . . . . 61.4 109.023 175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 HD22 HD13 ' A' ' 23' ' ' ILE . 3.7 mm? -61.24 -40.35 93.7 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.075 0.55 . . . . 71.22 109.824 175.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.4 t -63.81 -30.92 71.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.868 0.867 . . . . 74.11 112.091 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.99 -28.08 68.76 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.261 0.625 . . . . 64.34 110.837 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -100.02 -7.42 25.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.331 0.652 . . . . 72.31 111.438 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 m120 54.85 43.84 29.35 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.995 0.918 . . . . 53.23 110.73 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG13 HD13 ' A' ' 56' ' ' LEU . 5.3 mm -55.94 126.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.023 0.929 . . . . 74.22 110.953 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -94.36 178.47 5.61 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 123.894 0.878 . . . . 62.25 110.109 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -87.11 161.73 17.95 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 109.688 -0.486 . . . . 75.01 109.688 169.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 40.85 31.07 0.11 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.987 2.115 . . . . 74.43 113.735 -170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.442 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 68.3 m -76.86 133.3 39.36 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.225 -0.898 . . . . 53.12 110.429 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.88 110.38 22.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.567 0.699 . . . . 62.4 110.029 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' ' 43' ' ' LEU . 1.2 mp -109.69 165.02 12.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.101 1.36 . . . . 74.44 107.536 175.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.0 tt -140.55 134.24 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.479 0.657 . . . . 71.43 111.43 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.778 HD12 HG22 ' B' ' 107' ' ' THR . 45.4 mt -87.78 116.04 25.65 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.739 -1.119 . . . . 64.12 108.64 168.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' HB3' ' HB1' ' C' ' 760' ' ' ALA . 82.7 mt -94.33 141.71 28.26 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 107.766 -1.198 . . . . 70.22 107.766 173.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 14.8 tp -85.96 162.48 18.52 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.031 -0.729 . . . . 74.25 109.031 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -35.52 100.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.661 1.184 . . . . 70.21 113.404 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' C' ' 760' ' ' ALA . 0.3 OUTLIER -74.38 -36.08 63.52 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.039 -0.982 . . . . 74.13 109.476 166.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.117 1.367 . . . . 62.34 108.898 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 110.914 -0.874 . . . . 62.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.77 145.0 30.73 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.848 -0.797 . . . . 73.25 108.848 173.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.1 122.73 47.48 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.303 -0.999 . . . . 71.14 108.303 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.28 160.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.186 0.595 . . . . 74.2 110.903 -170.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 45.0 m-85 -110.94 108.17 17.85 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 108.543 -0.91 . . . . 74.3 108.543 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.538 HG23 HD21 ' A' ' 15' ' ' LEU . 97.5 t -106.99 108.63 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 107.976 -1.12 . . . . 71.25 107.976 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 5.4 t0 -70.96 145.76 49.89 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 110.059 -0.348 . . . . 62.45 110.059 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.778 HG22 HD12 ' A' ' 69' ' ' LEU . 66.6 p -133.6 138.06 45.78 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 123.457 0.703 . . . . 62.32 110.654 -172.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.445 HG23 HD13 ' C' ' 765' ' ' LEU . 6.0 p -115.4 127.18 73.07 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 O-C-N 124.677 1.235 . . . . 63.43 108.814 167.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -141.09 85.88 2.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.528 -0.545 . . . . 75.32 109.528 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -86.89 134.92 33.48 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.841 -0.8 . . . . 75.11 108.841 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.447 ' HB2' HG23 ' A' ' 7' ' ' THR . 99.0 mttt -141.99 153.52 44.34 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.173 1.389 . . . . 70.12 108.343 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.3 m -116.27 117.16 29.22 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.278 -0.638 . . . . 75.23 109.278 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.493 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 55.8 mt -91.39 157.99 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.369 -0.974 . . . . 61.12 108.369 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 63.9 m -137.98 125.76 22.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 123.631 0.772 . . . . 71.33 109.519 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' B' ' 129' ' ' LYS . 0.7 OUTLIER -141.71 166.77 23.82 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 109.248 -0.649 . . . . 74.11 109.248 173.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 29.5 tt0 -108.27 139.47 42.91 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.637 -0.875 . . . . 72.51 108.637 168.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 170.52 11.82 Favored 'Isoleucine or valine' 0 C--O 1.248 1.007 0 C-N-CA 125.483 1.513 . . . . 74.04 109.649 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -113.66 142.3 27.45 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 109.167 -0.679 . . . . 74.11 109.167 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.75 -32.02 38.32 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 123.093 2.529 . . . . 74.22 111.773 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -78.79 -16.8 56.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.264 1.026 . . . . 73.2 111.729 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 157.34 23.42 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.923 0.489 . . . . 62.13 110.653 -176.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.1 p -84.17 165.5 18.38 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.145 -0.934 . . . . 71.41 111.422 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 39.9 mm -70.51 -21.53 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 115.349 -0.842 . . . . 63.41 110.092 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.576 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 11.6 pt-20 -58.26 -30.89 66.93 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.848 0.459 . . . . 75.02 110.735 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -65.61 -43.67 88.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.321 0.648 . . . . 64.31 110.866 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.5 -50.0 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 123.387 0.675 . . . . 65.42 110.063 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 53.3 pttt -64.81 -40.38 95.11 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 120.914 0.387 . . . . 74.31 110.887 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.13 88.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 115.556 -0.747 . . . . 71.33 110.639 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.787 ' HD3' HD13 ' B' ' 115' ' ' LEU . 0.0 OUTLIER -71.9 -40.98 68.48 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 123.442 0.463 . . . . 72.42 111.413 -177.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.454 ' HB ' HD12 ' B' ' 136' ' ' ILE . 27.8 pt -66.3 -39.37 84.03 Favored 'Isoleucine or valine' 0 C--N 1.358 0.964 0 CA-C-N 118.004 0.366 . . . . 52.5 110.068 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.403 HE21 ' HD2' ' B' ' 138' ' ' PRO . 36.3 tt0 -66.87 -47.02 73.18 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 122.585 0.354 . . . . 71.45 111.451 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.28 -52.47 53.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.093 0.957 . . . . 62.14 111.153 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' B' ' 134' ' ' GLU . 75.9 mmtt -82.16 -56.75 3.74 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.761 -1.109 . . . . 71.12 110.521 -175.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' B' ' 133' ' ' LYS . 55.1 mt-10 -102.89 -4.89 24.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.84 -0.618 . . . . 73.43 111.457 -160.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.4 38.19 90.94 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.569 0.543 . . . . 45.42 113.656 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.454 HD12 ' HB ' ' B' ' 130' ' ' ILE . 67.5 mt -99.43 103.0 18.18 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.361 1.064 . . . . 53.54 108.915 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -72.94 109.82 2.9 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.871 2.38 . . . . 65.01 111.255 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.621 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.8 Cg_endo -57.2 -40.03 85.92 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 123.663 2.909 . . . . 62.24 114.04 -172.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.07 -39.17 75.79 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.262 -0.881 . . . . 62.25 110.747 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -11.85 59.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.858 0.863 . . . . 75.42 110.824 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -110.57 171.27 7.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.997 0.519 . . . . 63.33 110.126 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.68 ' HB2' ' HB2' ' B' ' 170' ' ' LEU . 11.2 mmm180 -124.76 104.45 8.65 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.428 -1.693 . . . . 62.31 106.428 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.47 99.86 3.69 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.12 -1.437 . . . . 72.43 107.12 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.13 118.7 37.28 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.336 0.654 . . . . 52.22 109.38 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.593 ' HB2' HD21 ' B' ' 150' ' ' LEU . 57.2 t80 -110.94 101.99 10.51 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.443 0.697 . . . . 75.14 109.253 -176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.51 29.27 8.79 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.388 0.675 . . . . 71.31 112.509 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.45 60.17 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 115.078 0.791 . . . . 63.22 115.078 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -127.02 122.18 33.72 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.138 0.969 . . . . 54.41 109.799 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -76.01 147.56 38.68 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.569 0.348 . . . . 54.12 110.937 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.0 OUTLIER -91.77 124.03 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 123.097 0.559 . . . . 74.44 110.047 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.659 ' HB2' ' HG2' ' B' ' 154' ' ' ARG . 3.3 mp0 -79.6 133.75 36.44 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 107.288 -1.375 . . . . 75.34 107.288 167.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -58.7 -31.0 67.84 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.779 0.832 . . . . 75.05 112.83 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.02 -1.99 90.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.821 -0.627 . . . . 64.43 114.067 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.659 ' HG2' ' HB2' ' B' ' 151' ' ' GLU . 15.9 mmt85 -82.12 176.14 9.75 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 117.15 0.475 . . . . 65.4 110.116 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.4 m -105.74 162.25 13.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.918 0.887 . . . . 72.04 109.102 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.481 ' O ' HG12 ' B' ' 161' ' ' ILE . 4.1 mm? -64.49 -49.39 71.53 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 109.387 -0.597 . . . . 71.32 109.387 172.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.8 t -60.45 -24.43 65.23 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.28 0.632 . . . . 74.31 112.686 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.5 -38.04 58.68 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.733 0.813 . . . . 75.51 110.976 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -97.36 -10.04 26.32 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.029 -0.987 . . . . 62.14 111.791 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.77 64.58 1.27 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 122.129 0.966 . . . . 73.11 109.355 -172.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.481 HG12 ' O ' ' B' ' 156' ' ' LEU . 11.7 mm -73.55 121.64 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 114.526 -1.215 . . . . 74.53 109.813 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -87.16 150.79 23.72 Favored 'General case' 0 C--O 1.25 1.131 0 CA-C-O 121.581 0.705 . . . . 71.52 110.122 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -62.68 129.43 40.51 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 115.887 -0.597 . . . . 63.35 109.64 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 69.51 33.1 3.2 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.476 1.11 . . . . 73.43 110.118 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.583 ' HB2' HG22 ' A' ' 3' ' ' ILE . 69.0 m -55.1 162.6 1.31 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.098 0.407 . . . . 55.45 112.098 161.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.12 133.36 46.59 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.489 0.716 . . . . 72.41 109.305 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' B' ' 145' ' ' PHE . 1.8 pt? -144.79 128.51 17.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.535 0.734 . . . . 71.01 110.752 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 34.3 pt -95.23 140.08 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 115.391 -0.822 . . . . 75.43 110.429 -172.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.448 HD11 HD13 ' B' ' 136' ' ' ILE . 78.3 mt -86.7 115.76 24.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.912 -1.04 . . . . 44.54 109.579 170.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.68 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 84.1 mt -95.33 159.56 14.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.812 -1.181 . . . . 71.03 107.812 168.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.82 170.17 16.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.254 0.479 . . . . 72.14 110.333 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 3.1 t -38.19 117.06 0.58 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.01 1.324 . . . . 54.24 112.72 171.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 36.0 tp 73.45 -61.06 0.51 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.802 1.641 . . . . 65.22 110.369 -171.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 . . . . . 0 C--O 1.248 1.018 0 C-N-CA 124.55 1.14 . . . . 73.12 109.457 -177.568 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.26 -0.336 . . . . 33.51 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 69.7 p -152.92 112.0 3.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.649 0.78 . . . . 45.43 109.261 177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -82.94 131.06 35.2 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.668 0.387 . . . . 53.41 110.02 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 50.3 m -109.66 -8.34 14.97 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.361 1.064 . . . . 71.11 110.723 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 32.8 t70 58.87 -98.68 0.09 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.515 1.126 . . . . 54.42 110.043 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 57.2 p 170.0 -54.57 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.06 1.344 . . . . 72.04 108.641 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.05 75.21 0.83 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 114.708 -1.133 . . . . 55.25 111.018 -172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 20.9 ptm -64.79 124.18 21.3 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.063 0.764 . . . . 71.04 113.063 -167.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -134.77 -14.63 2.13 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.97 1.308 . . . . 65.31 110.731 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 8.6 t 66.6 17.21 10.58 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 125.675 1.59 . . . . 62.24 112.608 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.26 -53.53 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.426 0.69 . . . . 74.03 111.976 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -74.02 -15.31 61.09 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.536 0.734 . . . . 52.13 111.98 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.5 -63.13 1.2 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.298 1.439 . . . . 64.33 111.028 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -51.68 -39.07 57.6 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.895 1.372 . . . . 72.11 111.622 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 41.1 mtpt -68.46 -63.08 1.13 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.476 0.71 . . . . 73.2 111.035 -173.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.64 -42.7 97.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.22 -0.9 . . . . 73.21 111.17 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.52 -41.71 96.22 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.043 0.839 . . . . 74.21 110.126 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -57.79 -51.45 69.54 Favored 'General case' 0 C--N 1.368 1.413 0 O-C-N 123.59 0.556 . . . . 64.21 110.942 173.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 67.9 mt -60.52 -40.78 92.7 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.739 0.649 . . . . 64.42 110.976 -176.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.63 -36.54 78.75 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.992 -1.004 . . . . 72.41 109.346 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -76.09 -36.78 58.79 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.122 0.969 . . . . 75.23 110.417 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -62.51 -43.01 99.85 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.122 0.969 . . . . 71.03 108.71 172.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.41 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 34.9 t-105 -67.46 -33.39 75.04 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.28 -1.327 . . . . 75.14 110.958 175.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -64.24 -36.35 83.79 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.89 0.476 . . . . 74.45 109.817 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -61.06 -61.42 2.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.782 0.433 . . . . 72.15 111.057 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.23 -31.63 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.89 0.876 . . . . 72.23 111.575 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -74.15 -49.71 22.55 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.674 0.79 . . . . 73.12 109.503 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -67.55 -27.56 67.06 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.759 0.824 . . . . 60.53 112.639 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 20.0 ptm -78.84 -59.53 2.74 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.264 -1.013 . . . . 71.22 108.264 172.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.864 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 16.4 mt -64.19 -16.3 61.66 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.096 1.147 . . . . 74.32 114.096 -172.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.536 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.1 t -68.11 -17.99 64.52 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.25 0.548 . . . . 75.15 111.848 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.528 HD22 HG23 ' C' ' 763' ' ' THR . 4.2 p30 -133.51 -44.83 0.82 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.99 0.916 . . . . 63.0 109.736 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.543 HD23 HD11 ' C' ' 768' ' ' LEU . 11.4 tp -80.18 57.15 2.64 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 126.675 1.99 . . . . 75.4 108.59 175.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' C' ' 766' ' ' GLU . 9.3 pt-20 -85.49 48.87 1.65 Allowed 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 125.489 1.516 . . . . 74.53 112.612 -168.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 67.6 m -167.93 83.14 0.19 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.617 1.167 . . . . 62.11 108.827 -175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.543 HD11 HD23 ' C' ' 765' ' ' LEU . 90.1 mt -132.05 141.49 49.23 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.641 0.608 . . . . 64.34 112.641 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 46.3 m -78.18 147.46 34.49 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 115.528 -0.76 . . . . 61.1 109.164 166.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.429 HD11 HD12 ' C' ' 795' ' ' LEU . 20.4 tp -60.96 -31.42 70.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.919 0.888 . . . . 71.22 111.153 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.32 -52.55 61.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.87 0.868 . . . . 74.1 110.715 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -52.11 -56.66 13.09 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.367 1.042 . . . . 74.12 111.157 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.435 HD11 HD21 ' C' ' 799' ' ' LEU . 2.3 pp -75.55 -25.35 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 115.044 -0.98 . . . . 71.24 111.446 -171.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.571 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 37.4 t80 -62.95 -52.22 63.86 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.297 -0.631 . . . . 74.35 109.297 170.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.35 -38.28 86.39 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 124.023 0.827 . . . . 64.12 111.328 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 81.0 mtp -63.78 -56.0 18.86 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.842 0.457 . . . . 74.22 110.61 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 9.5 mp -58.73 -29.47 66.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.05 0.54 . . . . 74.53 111.671 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -67.66 -43.51 80.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.108 0.963 . . . . 73.33 109.696 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.6 tpt -58.3 -51.2 70.8 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.619 0.768 . . . . 65.13 110.747 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -70.61 -29.35 65.72 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.639 0.375 . . . . 74.21 111.85 -173.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 5.7 p -80.53 -32.81 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-O 119.621 -0.228 . . . . 72.11 110.527 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.32 -30.81 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 118.191 0.45 . . . . 71.14 110.676 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 22.5 p -77.26 -20.25 55.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.49 0.316 . . . . 75.42 111.796 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -124.05 97.35 0.55 Allowed Glycine 0 C--N 1.339 0.71 0 N-CA-C 110.469 -1.053 . . . . 54.43 110.469 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 8.28 0.22 Allowed 'Trans proline' 0 C--N 1.382 2.311 0 C-N-CA 123.588 2.859 . . . . 73.22 115.378 -176.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.7 65.03 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.938 1.295 . . . . 63.22 112.514 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . 0.451 HD21 HD21 ' C' ' 751' ' ' LEU . 5.2 mp -104.44 6.25 34.79 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 62.0 111.901 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.24 -77.24 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.069 . . . . 51.34 111.715 -175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.61 112.31 1.43 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.293 0.637 . . . . 75.45 109.486 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 11.8 pt -70.83 161.08 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.984 -0.448 . . . . 74.33 109.861 172.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . 0.48 ' HB3' HE21 ' C' ' 793' ' ' GLN . 15.8 t70 -126.96 171.9 10.92 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.567 0.747 . . . . 61.22 109.013 -173.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.37 -38.46 71.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.832 0.853 . . . . 74.22 111.938 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . 0.48 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.8 pp0? -69.36 -33.01 72.44 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.012 0.525 . . . . 72.34 111.71 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -77.77 -37.89 47.97 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.648 0.779 . . . . 73.12 109.922 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.571 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -71.35 -50.65 30.13 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.585 1.154 . . . . 70.54 109.394 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -58.34 -40.35 81.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.592 1.157 . . . . 72.32 110.402 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -56.44 -43.73 90.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.25 0.969 . . . . 62.03 113.07 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.3 t80 -62.38 -46.72 87.34 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.366 0.666 . . . . 73.02 110.598 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.435 HD21 HD11 ' C' ' 773' ' ' ILE . 3.9 mm? -65.75 -47.47 75.12 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.523 -0.762 . . . . 74.33 112.461 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.89 74.83 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.717 -0.475 . . . . 64.43 109.717 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -56.15 -61.71 2.21 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 123.879 0.737 . . . . 70.33 109.737 167.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.465 ' HD2' ' HG2' ' C' ' 807' ' ' GLN . 74.9 mmtt -55.42 -38.2 68.64 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.286 0.847 . . . . 71.54 113.286 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.61 -47.25 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 109.717 -0.475 . . . . 75.05 109.717 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.35 -8.92 58.99 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.927 -0.579 . . . . 74.21 112.419 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.55 -2.75 55.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.023 0.929 . . . . 73.22 111.327 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.28 13.68 9.46 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 125.583 1.553 . . . . 65.32 111.9 -175.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . 0.465 ' HG2' ' HD2' ' C' ' 802' ' ' LYS . 6.2 tp-100 -83.26 -25.91 31.21 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.803 1.241 . . . . 41.22 110.59 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.77 142.13 51.09 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.95 0.9 . . . . 50.43 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.64 139.04 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.227 1.011 . . . . 72.14 109.19 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.96 114.61 27.16 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 124.738 1.215 . . . . 74.21 108.987 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 36.3 t -91.78 -145.41 0.2 Allowed 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 108.27 -1.011 . . . . 71.52 108.27 172.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.08 76.5 0.94 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.548 0.613 . . . . 73.14 110.897 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.21 14.5 81.83 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 115.482 -0.781 . . . . 62.24 113.667 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.0 146.56 31.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 122.909 0.484 . . . . 62.35 110.48 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -100.52 149.65 23.48 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 123.736 0.814 . . . . 55.15 110.82 175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.573 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.0 OUTLIER -156.75 135.91 11.99 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.353 -0.84 . . . . 75.1 108.783 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.864 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 9.0 tp -73.99 118.77 72.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-O 118.879 -0.582 . . . . 63.42 110.022 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.82 -53.78 2.94 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.699 2.266 . . . . 61.41 111.01 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' C' ' 763' ' ' THR . 59.1 mtpt 73.21 -52.55 0.7 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.809 1.643 . . . . 73.23 111.248 -177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -67.78 121.79 16.73 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.052 0.541 . . . . 62.02 109.735 165.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 78.0 m -71.74 87.62 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.364 0.665 . . . . 74.25 109.518 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.247 0.933 0 N-CA-C 108.309 -0.997 . . . . 53.03 108.309 -176.633 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.132 -0.387 . . . . 51.14 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.78 153.08 35.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.433 0.693 . . . . 73.31 109.215 -175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.521 HE21 ' H ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -110.95 126.32 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.301 -1.0 . . . . 63.21 108.301 -173.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 pt -118.45 157.2 20.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 CA-C-O 121.559 0.695 . . . . 74.22 110.129 -170.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.2 m-85 -105.76 118.49 36.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.598 -1.183 . . . . 71.21 108.51 177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG23 HD21 ' B' ' 115' ' ' LEU . 65.5 t -100.31 91.65 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.81 -1.552 . . . . 75.42 106.81 173.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' B' ' 112' ' ' THR . 23.0 t0 -93.9 102.64 14.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.486 -1.234 . . . . 71.15 109.11 -174.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -90.26 133.84 34.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.856 0.36 . . . . 73.11 110.575 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -92.99 131.12 40.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 108.754 -0.832 . . . . 63.32 108.754 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.79 111.47 8.71 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 106.06 -1.829 . . . . 61.0 106.06 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.65 ' HE1' HG22 ' B' ' 108' ' ' VAL . 0.0 OUTLIER -81.15 104.19 11.46 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.62 -1.252 . . . . 74.15 107.62 177.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -106.8 109.02 20.81 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.988 0.915 . . . . 72.44 110.142 -168.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -78.13 113.79 16.4 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 109.515 -0.55 . . . . 72.13 109.515 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 41.3 mm -94.47 145.9 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 124.193 0.997 . . . . 71.42 109.747 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.1 m -108.97 128.23 54.76 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.051 -0.722 . . . . 70.31 109.051 169.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.676 HD23 ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -147.84 147.46 29.82 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.558 0.743 . . . . 73.45 109.706 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 40.3 tt0 -92.05 147.33 23.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.952 0.406 . . . . 65.34 110.05 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -150.28 170.81 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.318 0 C-N-CA 125.543 1.537 . . . . 64.31 107.791 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -127.11 149.81 70.45 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.574 -0.704 . . . . 62.04 110.397 -174.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.96 -23.72 46.63 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.237 1.958 . . . . 73.11 112.924 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 m -77.28 -21.41 53.66 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.821 0.7 . . . . 71.24 112.359 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.52 158.21 15.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 117.761 0.255 . . . . 54.24 110.899 -172.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -78.02 162.72 26.52 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 63.12 111.399 176.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 50' ' ' LEU . 32.7 mm -59.55 -26.7 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.193 0.997 . . . . 61.42 110.87 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.87 -22.23 47.09 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.234 -0.894 . . . . 65.22 112.234 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.39 -50.77 50.55 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.69 0.796 . . . . 74.4 110.781 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.82 -48.27 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 108.614 -0.884 . . . . 74.31 108.614 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -49.71 -54.89 16.14 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.703 -1.589 . . . . 73.41 111.557 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.89 74.07 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.269 -0.878 . . . . 64.52 111.675 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.676 ' HD2' HD23 ' A' ' 15' ' ' LEU . 16.6 ptpt -76.71 -39.99 50.17 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 123.351 0.407 . . . . 75.35 111.601 -176.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.614 ' HB ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -67.68 -37.87 79.39 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 109.403 -0.591 . . . . 74.04 109.403 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -63.43 -47.1 83.33 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.879 -1.055 . . . . 71.44 111.239 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.93 -51.33 33.8 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.826 0.85 . . . . 65.34 110.933 -174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -77.37 -36.91 53.13 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.01 -0.995 . . . . 73.32 112.567 -171.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.51 -0.98 8.61 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.836 1.05 . . . . 72.43 113.836 -173.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.09 28.69 72.66 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 121.777 -0.249 . . . . 74.12 113.165 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.614 HD12 ' HB ' ' A' ' 30' ' ' ILE . 46.2 mt -80.44 111.71 25.01 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 108.722 -0.844 . . . . 71.24 108.722 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.75 104.2 1.83 Allowed 'Trans proline' 0 C--N 1.38 2.192 0 C-N-CA 123.04 2.493 . . . . 73.41 112.676 -170.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.78 -31.47 20.37 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.611 2.207 . . . . 53.52 114.235 -170.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.53 -24.09 67.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.069 0.548 . . . . 63.52 110.176 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.523 HE21 HD11 ' A' ' 71' ' ' LEU . 23.0 tt0 -109.33 0.02 19.31 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.2 1.0 . . . . 74.24 111.176 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.526 HE21 ' HB3' ' A' ' 69' ' ' LEU . 11.4 mm100 -118.97 106.83 12.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.113 0.965 . . . . 74.52 109.748 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 70' ' ' LEU . 13.8 ptm180 -80.07 105.46 11.36 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-O 121.269 0.557 . . . . 72.21 109.637 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.8 mp -79.99 138.06 36.97 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.139 -0.689 . . . . 62.05 109.139 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -138.26 146.93 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 N-CA-C 108.966 -0.753 . . . . 74.35 108.966 176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.81 97.95 4.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.848 1.259 . . . . 74.02 108.575 -177.12 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.06 30.99 17.26 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.526 0.73 . . . . 72.12 112.244 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.44 17.01 40.9 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 114.798 -1.092 . . . . 63.3 114.568 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -119.0 112.87 20.12 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 117.759 0.779 . . . . 74.14 109.288 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -70.68 133.87 47.02 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.069 0.548 . . . . 74.1 110.077 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.625 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 mt -94.26 117.36 30.0 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.172 0.589 . . . . 63.31 111.45 -171.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -104.55 129.3 52.63 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.391 1.076 . . . . 74.1 108.739 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 39.9 m-20 -56.53 -36.3 69.07 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.521 1.129 . . . . 75.42 113.772 -168.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.35 -14.69 77.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 123.57 0.544 . . . . 75.24 113.751 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 23' ' ' ILE . 37.0 ttm180 -92.99 165.4 12.88 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.218 1.007 . . . . 73.32 108.393 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 10.0 m -103.77 157.69 16.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.916 0.486 . . . . 73.03 111.566 -167.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 23' ' ' ILE . 4.0 mm? -61.49 -45.82 92.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.412 1.085 . . . . 75.5 110.582 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.6 t -68.04 -24.07 65.04 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.517 0.562 . . . . 75.42 112.517 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.61 -31.99 71.13 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.002 0.521 . . . . 55.02 111.016 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.43 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 95.6 m-85 -97.36 -10.74 25.0 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.765 0.426 . . . . 63.44 110.626 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 60.43 64.27 1.23 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.397 1.079 . . . . 74.03 110.133 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' TYR . 1.9 mp -68.49 101.19 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 108.405 -0.961 . . . . 73.21 108.405 169.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.1 166.91 21.03 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.685 -1.143 . . . . 74.44 109.606 168.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -73.66 150.24 41.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.94 0.496 . . . . 63.13 110.651 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 55.0 24.07 5.64 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.069 2.148 . . . . 75.45 113.209 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.4 t -78.65 152.22 31.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.092 0.557 . . . . 74.33 110.246 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -103.7 106.91 17.56 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.573 0.701 . . . . 61.05 111.968 -171.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.7 tt -90.17 149.18 22.54 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.856 -1.535 . . . . 65.13 106.856 169.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.0 tt -135.8 128.3 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 123.092 0.557 . . . . 52.14 109.808 175.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 ' HB3' HE21 ' A' ' 41' ' ' GLN . 6.1 mp -97.48 113.58 25.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.949 0.9 . . . . 72.43 108.961 176.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . 2.2 mm? -95.59 141.0 29.61 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 106.8 -1.555 . . . . 62.12 106.8 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 HE21 ' A' ' 40' ' ' GLN . 30.9 tp -73.49 167.42 21.34 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.447 0.567 . . . . 73.4 109.597 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -51.11 97.67 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.097 0.959 . . . . 72.5 110.684 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.65 -68.99 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 113.63 -1.623 . . . . 73.54 108.372 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.3 mmp_? . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.048 1.339 . . . . 75.15 108.113 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.923 -0.471 . . . . 52.33 111.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.54 142.91 33.79 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.144 0.577 . . . . 64.22 109.695 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -114.74 122.98 48.08 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.117 -0.697 . . . . 73.1 109.117 -174.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.414 HG21 HG23 ' A' ' 61' ' ' ILE . 27.7 pt -119.21 179.02 2.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 124.537 1.135 . . . . 70.43 110.409 -169.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 39.7 m-85 -116.68 117.78 30.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.113 -0.949 . . . . 72.25 109.528 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 15' ' ' LEU . 35.1 m -107.91 107.58 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 108.744 -0.836 . . . . 62.21 108.744 175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.79 117.44 17.54 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.499 -0.926 . . . . 73.24 108.499 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.1 t -117.06 147.3 42.49 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 124.148 0.979 . . . . 75.03 109.699 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.65 HG22 ' HE1' ' A' ' 10' ' ' TRP . 21.2 t -89.1 107.12 17.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 107.593 -1.262 . . . . 54.12 107.593 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.0 140.87 35.71 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.464 -0.939 . . . . 42.51 108.464 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -125.46 143.33 51.04 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.863 0.865 . . . . 73.42 109.032 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.52 103.06 7.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.994 -1.113 . . . . 75.14 107.994 169.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 6.7 m -84.24 112.46 20.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.576 -0.527 . . . . 74.14 109.576 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 49.9 mt -90.46 154.12 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.329 -1.36 . . . . 75.33 107.329 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 61.9 m -137.08 111.28 8.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.316 -0.994 . . . . 75.34 108.316 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.413 HD21 HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -126.46 163.75 22.66 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.06 -0.719 . . . . 71.44 109.06 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 32.0 tt0 -106.16 140.18 39.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.068 -1.086 . . . . 63.31 108.068 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.0 p -144.51 160.98 14.74 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 123.62 0.768 . . . . 64.21 109.221 -174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 74.9 mm-40 -103.15 141.61 22.84 Favored Pre-proline 0 N--CA 1.468 0.466 0 C-N-CA 123.217 0.607 . . . . 63.03 110.196 -176.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.93 -27.53 50.81 Favored 'Trans proline' 0 C--N 1.367 1.547 0 C-N-CA 122.69 2.26 . . . . 75.1 111.701 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 54.9 p -81.38 -17.6 48.45 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.275 1.03 . . . . 65.24 112.158 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 118' ' ' GLU . 5.2 t70 -85.06 158.68 20.38 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.804 -0.813 . . . . 73.21 108.804 -174.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.3 p -85.45 163.56 18.4 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.395 0.678 . . . . 72.34 111.973 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 150' ' ' LEU . 29.1 mm -66.54 -18.36 24.01 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 C-N-CA 124.866 1.267 . . . . 62.02 110.663 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.552 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 9.8 pt-20 -56.9 -25.09 56.4 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 115.453 -0.794 . . . . 52.24 110.576 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 10.3 t-20 -54.99 -58.46 7.53 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.673 1.189 . . . . 71.51 109.957 170.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.49 -44.34 98.73 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 124.543 1.137 . . . . 75.11 111.124 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.552 ' HG2' ' HA ' ' B' ' 124' ' ' GLU . 59.4 pttt -65.27 -38.7 91.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 116.013 -0.54 . . . . 44.02 109.905 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.51 61.86 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 116.075 -0.511 . . . . 72.05 110.555 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 71.6 mmtt -67.42 -59.88 3.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 109.253 -0.647 . . . . 71.45 109.253 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 19.7 pt -58.73 -36.78 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 123.252 0.345 . . . . 74.25 111.476 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -68.96 -40.09 79.09 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.637 0.775 . . . . 64.43 112.063 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -70.21 -50.4 40.34 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.692 0.758 . . . . 72.22 110.619 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -79.95 -50.61 10.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.781 -1.554 . . . . 73.33 111.609 -165.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.547 ' HG3' HG13 ' B' ' 136' ' ' ILE . 12.6 pt-20 -125.93 5.2 7.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 113.326 0.862 . . . . 71.11 113.326 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.65 63.84 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 114.776 0.67 . . . . 42.0 114.776 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.547 HG13 ' HG3' ' B' ' 134' ' ' GLU . 58.8 mt -78.84 112.05 24.32 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 108.423 -0.954 . . . . 64.53 108.423 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.478 ' HD2' HE21 ' B' ' 140' ' ' GLN . 11.6 Cg_exo -67.12 135.46 37.4 Favored 'Trans proline' 0 CA--C 1.564 1.998 0 C-N-CA 122.571 2.181 . . . . 74.24 111.194 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.9 -51.54 2.88 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 124.055 3.17 . . . . 70.24 115.069 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.11 -27.93 66.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.301 0.64 . . . . 52.22 110.008 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.478 HE21 ' HD2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -85.46 12.82 7.67 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.96 1.304 . . . . 70.25 110.635 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.506 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -138.63 146.69 42.02 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.218 -0.66 . . . . 74.11 109.218 167.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -119.59 106.17 11.92 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.669 -0.863 . . . . 72.22 108.669 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.506 ' HB2' HE22 ' B' ' 141' ' ' GLN . 57.5 tp -82.66 130.67 35.16 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.373 0.669 . . . . 73.44 109.784 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' B' ' 168' ' ' ILE . 10.7 t70 -118.99 145.0 46.19 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.782 1.233 . . . . 72.15 108.751 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.502 ' HB2' HD21 ' B' ' 150' ' ' LEU . 25.0 t80 -139.17 102.36 4.49 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.389 -0.967 . . . . 33.21 108.389 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.77 24.49 4.43 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.333 1.053 . . . . 72.34 113.062 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.39 32.26 7.47 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 120.04 -0.311 . . . . 32.22 113.805 -175.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -122.32 131.4 53.89 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.675 0.79 . . . . 71.51 109.132 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -81.12 112.19 18.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.306 -1.368 . . . . 71.55 107.306 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.644 ' HB3' HG21 ' B' ' 123' ' ' ILE . 3.0 mm? -73.08 89.47 1.48 Allowed 'General case' 0 C--O 1.241 0.635 0 N-CA-C 109.199 -0.667 . . . . 70.41 109.199 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.35 119.7 9.58 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.962 -1.017 . . . . 74.44 108.547 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.571 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.4 p-10 -63.6 -20.76 65.92 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.86 0.864 . . . . 73.12 112.512 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -87.04 -4.28 81.95 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 115.693 -0.685 . . . . 54.0 113.841 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.48 167.84 10.91 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.598 -0.89 . . . . 74.12 108.598 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 92.3 m -100.91 156.92 17.11 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.229 1.012 . . . . 55.25 109.901 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.554 HD22 HD13 ' B' ' 123' ' ' ILE . 3.6 mm? -56.9 -40.61 76.58 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.783 0.833 . . . . 74.24 109.923 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.482 ' H ' HG22 ' B' ' 155' ' ' THR . 42.8 t -60.26 -32.08 70.83 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.308 0.855 . . . . 75.41 113.308 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.78 -28.27 65.79 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 118.519 0.599 . . . . 53.32 111.331 176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -106.43 1.32 25.52 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.777 0.831 . . . . 71.31 110.68 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 65.9 t30 48.88 51.91 15.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.967 1.307 . . . . 62.44 111.007 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.8 mm -69.09 119.95 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 114.568 -1.196 . . . . 72.22 109.661 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.38 171.0 7.85 Favored 'General case' 0 C--O 1.252 1.232 0 CA-C-O 121.715 0.769 . . . . 63.02 110.716 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -65.6 139.58 58.45 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 115.548 -0.751 . . . . 75.02 109.653 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 63.91 23.49 13.37 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 113.649 -1.614 . . . . 71.22 112.353 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 58.4 m -62.47 117.12 5.76 Favored 'General case' 0 C--N 1.372 1.587 0 CA-C-N 118.527 0.603 . . . . 52.21 110.114 166.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -98.39 109.1 21.91 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.448 0.699 . . . . 63.03 109.497 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.93 138.95 38.22 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.399 1.08 . . . . 53.13 108.194 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.565 HG23 ' HB3' ' B' ' 144' ' ' ASP . 4.9 tt -95.38 111.75 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.271 0.558 . . . . 72.3 109.675 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 10.1 tt -89.86 125.03 35.19 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.657 -0.497 . . . . 63.4 109.657 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 160.09 15.36 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.935 0.894 . . . . 72.22 109.069 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.85 178.17 3.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.026 0.931 . . . . 64.33 110.816 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 10.9 t -40.88 134.75 1.86 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.393 1.077 . . . . 74.33 112.917 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 58.92 174.68 0.07 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.291 1.036 . . . . 65.42 111.278 -168.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.56 ' HB2' HG11 ' C' ' 814' ' ' VAL . 70.1 mtt180 . . . . . 0 C--O 1.247 0.957 0 N-CA-C 107.331 -1.359 . . . . 70.43 107.331 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 CA-C-O 119.68 -0.511 . . . . 62.33 112.098 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 49.5 m -78.51 152.38 32.03 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.051 0.54 . . . . 64.35 110.174 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.83 -178.97 5.19 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 65.53 110.345 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 25.6 p -148.64 -32.87 0.23 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.262 1.025 . . . . 63.34 108.91 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.07 84.9 3.57 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.004 -0.739 . . . . 73.32 109.004 171.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 32.8 p -86.03 111.81 20.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.519 0.728 . . . . 73.15 109.095 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -90.47 -167.14 41.6 Favored Glycine 0 C--N 1.345 1.073 0 N-CA-C 112.346 -0.301 . . . . 63.21 112.346 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' C' ' 744' ' ' ALA . 2.7 mmm -76.04 156.8 33.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.488 0.715 . . . . 75.01 111.024 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -85.17 40.01 0.8 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.177 0.991 . . . . 65.21 112.052 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 30.5 t -151.62 -87.52 0.07 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 122.318 0.247 . . . . 64.33 110.789 -178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -69.8 -36.63 75.83 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.337 0.655 . . . . 74.2 110.341 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' C' ' 740' ' ' MET . . . -67.41 -29.66 69.22 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 123.973 0.796 . . . . 72.12 111.087 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.84 -46.9 82.96 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.21 0.944 . . . . 75.45 110.745 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -60.34 -56.21 24.29 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.261 -0.881 . . . . 73.51 110.9 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.479 ' HA ' HD21 ' C' ' 787' ' ' LEU . 13.2 ptpt -66.21 -39.28 89.5 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 114.609 -1.178 . . . . 74.24 111.904 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -53.16 -50.91 63.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.493 0.717 . . . . 72.41 111.001 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -66.9 -43.84 82.36 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.455 0.702 . . . . 73.13 111.86 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -49.16 78.69 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.894 0.746 . . . . 63.1 110.6 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.47 -42.6 96.57 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.691 1.196 . . . . 72.33 110.989 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -71.2 -34.66 71.08 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 123.764 0.665 . . . . 65.33 109.238 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -43.36 85.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.633 0.773 . . . . 73.01 109.732 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -65.59 -33.79 76.74 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 114.971 -1.013 . . . . 74.12 110.37 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -76.3 -31.08 58.02 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 116.038 -0.528 . . . . 72.12 110.402 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 92.0 m -69.22 -31.72 70.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.127 -0.694 . . . . 54.2 109.127 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.407 ' O ' ' HG2' ' C' ' 761' ' ' MET . 14.0 m-85 -63.82 -64.8 0.79 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.71 0.804 . . . . 74.12 110.427 170.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 73.9 mt -57.36 -44.69 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.636 0.774 . . . . 52.32 111.424 -175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -65.38 -51.72 58.5 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.238 0.615 . . . . 71.12 109.742 -175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -71.32 -26.19 62.74 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.886 0.741 . . . . 75.05 112.451 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' C' ' 757' ' ' TYR . 26.7 ptm -80.34 -35.98 34.79 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 110.212 -0.292 . . . . 63.44 110.212 172.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.4 -11.74 60.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.267 0.627 . . . . 75.13 110.892 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 93.1 m -66.26 -17.73 64.92 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.486 0.714 . . . . 63.25 110.447 170.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.621 ' HB2' HD12 ' C' ' 765' ' ' LEU . 7.2 m120 -118.24 -55.42 2.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.537 1.135 . . . . 62.22 109.259 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' C' ' 764' ' ' ASN . 4.3 mp -91.65 61.96 4.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.15 1.38 . . . . 73.43 107.542 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.443 ' HG3' HH12 ' C' ' 816' ' ' ARG . 8.2 pt-20 -68.19 17.07 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 116.361 1.985 . . . . 73.13 116.361 -165.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 68.3 m -158.86 88.84 0.92 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.936 0.895 . . . . 53.51 109.588 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.08 147.45 52.44 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.075 0.55 . . . . 71.21 111.182 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 34.8 t -65.42 162.27 18.13 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.25 1.02 . . . . 75.02 110.814 174.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.98 -31.48 68.8 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.466 -0.938 . . . . 74.04 108.466 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -46.56 -54.7 8.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.741 1.216 . . . . 75.23 112.842 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' C' ' 776' ' ' MET . 3.2 mpt_? -60.77 -58.46 8.38 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.673 0.608 . . . . 63.13 109.896 -173.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.09 -23.08 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.019 0 CA-C-N 114.292 -1.322 . . . . 73.1 111.948 -172.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.654 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 54.9 t80 -67.34 -51.59 50.46 Favored 'General case' 0 C--N 1.365 1.255 0 N-CA-C 109.054 -0.721 . . . . 70.11 109.054 171.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -62.23 -34.47 76.56 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.063 0.852 . . . . 64.05 110.544 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' C' ' 772' ' ' ARG . 82.1 mmm -60.74 -61.71 2.39 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.999 0.812 . . . . 75.15 109.579 172.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.82 -34.79 65.68 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.209 -0.905 . . . . 72.21 112.846 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.453 ' HA ' HG12 ' C' ' 781' ' ' VAL . 14.4 tpt180 -69.28 -47.76 63.65 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.185 0.928 . . . . 54.01 108.836 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -53.8 17.36 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.051 0.844 . . . . 74.42 110.24 171.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -72.35 -26.22 61.84 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.509 0.559 . . . . 63.33 112.509 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' C' ' 778' ' ' ARG . 2.5 p -85.66 -25.61 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 117.782 0.264 . . . . 74.01 111.024 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 19.7 m -90.61 -24.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 N-CA-C 112.123 0.416 . . . . 73.11 112.123 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.9 p -68.3 -19.35 64.68 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 120.763 0.316 . . . . 62.51 111.774 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -126.83 173.44 18.29 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.405 -0.816 . . . . 50.41 111.284 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.32 5.81 6.02 Favored 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 122.676 2.251 . . . . 55.42 111.545 172.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -43.0 114.2 0.58 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.551 1.94 . . . . 70.14 112.168 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' C' ' 747' ' ' LYS . 68.7 mt 66.38 9.23 6.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.669 1.187 . . . . 70.23 113.164 172.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.81 32.47 19.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.191 0.996 . . . . 51.12 111.165 -172.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 70.54 130.2 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.886 1.674 . . . . 73.42 111.62 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.434 ' H ' HG12 ' C' ' 790' ' ' ILE . 4.3 pt -92.44 170.94 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.658 1.183 . . . . 73.32 111.373 175.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -124.14 172.8 8.75 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 124.44 1.096 . . . . 71.53 109.492 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.05 -37.53 69.39 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.941 1.297 . . . . 73.21 111.903 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -61.12 -43.92 98.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.26 0.624 . . . . 73.53 110.966 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -69.29 -41.54 76.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.684 0.794 . . . . 74.12 110.052 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.654 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -65.12 -62.5 1.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.751 -1.113 . . . . 73.44 109.845 -179.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -60.59 -30.52 69.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.67 0.788 . . . . 75.52 110.94 -177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -67.57 -37.7 89.8 Favored Glycine 0 C--N 1.356 1.652 0 O-C-N 124.0 0.812 . . . . 41.02 112.532 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.61 -47.67 80.47 Favored 'General case' 0 C--O 1.25 1.104 0 C-N-CA 123.593 0.757 . . . . 61.54 109.988 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.19 -40.05 94.76 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 115.253 -0.885 . . . . 65.34 110.887 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' C' ' 804' ' ' ARG . 0.6 OUTLIER -57.47 -53.0 63.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.224 0.952 . . . . 72.51 110.334 179.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -50.06 -51.12 44.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.011 0.925 . . . . 71.31 110.743 172.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.475 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 1.9 mptp? -59.83 -33.32 71.61 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 123.628 0.58 . . . . 75.4 112.301 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.82 -43.29 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.748 0.419 . . . . 74.34 110.1 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' C' ' 800' ' ' GLN . 8.2 mmm180 -71.54 -24.42 61.94 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.903 0.481 . . . . 74.02 111.537 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.98 -4.4 59.13 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 124.658 1.183 . . . . 62.11 110.949 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.5 11.71 6.81 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 125.641 1.576 . . . . 75.34 111.49 -170.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.82 -28.96 60.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.346 1.058 . . . . 64.44 110.501 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.475 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 9.3 mt -135.78 142.23 44.89 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.837 1.255 . . . . 75.25 109.6 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.9 t -105.32 129.01 58.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 C-N-CA 125.569 1.547 . . . . 65.2 108.26 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -93.09 108.68 20.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.093 -1.077 . . . . 71.5 108.093 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.516 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.0 t -88.29 -149.52 0.17 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.896 -1.15 . . . . 72.31 107.896 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.52 77.33 0.57 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.942 0.792 . . . . 75.25 110.695 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.03 21.04 76.79 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-N 115.597 -0.729 . . . . 61.11 113.548 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' B' ' 174' ' ' ARG . 4.6 m -131.62 159.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 123.245 0.618 . . . . 73.35 109.973 178.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . 0.462 ' HB3' HD22 ' C' ' 808' ' ' LEU . 67.9 m-85 -108.9 136.72 47.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.31 1.044 . . . . 74.33 110.928 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.443 HH12 ' HG3' ' C' ' 766' ' ' GLU . 17.5 ttt85 -136.88 135.82 38.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.205 1.002 . . . . 74.12 110.014 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.53 128.79 71.2 Favored Pre-proline 0 N--CA 1.479 0.991 0 N-CA-C 110.148 -0.315 . . . . 62.41 110.148 173.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.04 92.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.366 2.044 . . . . 64.14 110.046 159.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 141.11 58.64 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.635 0.731 . . . . 61.3 111.176 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -102.69 -16.03 16.14 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.716 0.806 . . . . 74.23 110.482 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.59 -51.41 69.94 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 123.915 0.76 . . . . 73.3 110.781 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.158 -0.925 . . . . 54.33 108.784 176.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 110.99 -0.844 . . . . 63.53 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.14 151.08 27.82 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.697 0.799 . . . . 75.43 109.653 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -85.93 150.71 24.31 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.088 -1.079 . . . . 73.42 108.088 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.28 158.7 43.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 CA-C-O 121.114 0.483 . . . . 74.44 110.513 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.81 105.41 11.09 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.924 -1.035 . . . . 74.31 108.903 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.432 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 95.0 t -88.76 95.24 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 108.397 -0.964 . . . . 51.31 108.397 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' HB3' ' CH2' ' B' ' 110' ' ' TRP . 18.1 m-20 -76.71 100.74 5.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.212 1.405 . . . . 72.12 111.698 -172.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.502 ' OG1' ' HG3' ' B' ' 111' ' ' LYS . 0.7 OUTLIER -101.12 119.56 38.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.58 1.152 . . . . 74.25 109.757 -174.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.54 136.85 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.479 0.711 . . . . 74.1 109.58 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 44.7 mt-30 -122.77 82.04 1.94 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.858 0.463 . . . . 70.04 109.853 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' C' ' 765' ' ' LEU . 20.0 t-105 -98.59 117.02 32.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 74.35 108.133 176.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -162.78 132.3 4.31 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.646 0.592 . . . . 74.14 111.195 -166.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 0.6 OUTLIER -75.73 137.97 40.96 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.238 -0.653 . . . . 71.24 109.238 168.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mm -114.03 120.6 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.322 -1.362 . . . . 70.13 107.322 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.3 m -87.76 122.05 30.94 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.279 0.491 . . . . 51.11 110.099 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD21 HG13 ' B' ' 105' ' ' VAL . 1.3 pt? -136.51 166.47 23.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.209 1.003 . . . . 72.33 109.203 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 2.7 mp0 -103.78 151.7 22.74 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.877 -0.786 . . . . 71.35 108.877 168.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -148.99 155.99 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.67 -0.696 . . . . 75.54 110.2 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -105.39 144.35 28.64 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 124.175 0.99 . . . . 62.34 110.357 -176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -65.46 -34.42 43.2 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.411 2.074 . . . . 75.12 111.134 176.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -75.84 -10.04 59.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.329 1.051 . . . . 73.13 112.057 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' HB3' HD22 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -84.65 163.84 19.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.638 0.775 . . . . 75.43 110.377 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -94.4 159.94 14.88 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.383 0.611 . . . . 74.2 110.839 174.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.494 HD13 HD22 ' A' ' 56' ' ' LEU . 26.5 mm -63.9 -27.18 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 C-N-CA 124.81 1.244 . . . . 74.45 110.413 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.33 -21.8 66.26 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.372 1.069 . . . . 73.14 111.243 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.437 HD22 ' HB3' ' A' ' 21' ' ' ASP . 62.4 m-20 -73.92 -37.74 64.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.482 -0.562 . . . . 65.12 109.482 176.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 61.8 t -65.89 -45.17 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.123 -0.695 . . . . 74.42 109.123 173.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -56.83 -45.37 82.37 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.253 1.021 . . . . 60.02 110.6 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.56 -34.89 65.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.653 0.381 . . . . 44.42 111.569 -173.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 17.3 ptmt -74.97 -35.28 62.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.579 0.352 . . . . 74.14 110.92 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.434 HD11 ' OE1' ' A' ' 41' ' ' GLN . 18.4 pt -75.49 -27.24 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.207 0.458 . . . . 74.03 110.245 172.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.327 0.584 . . . . 74.51 110.377 171.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.64 -48.79 36.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.241 -0.89 . . . . 73.24 110.657 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -85.72 -60.87 1.89 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.525 -0.762 . . . . 73.15 111.507 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 60.1 mm-40 -78.66 -30.73 46.44 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.439 0.696 . . . . 75.31 110.601 -173.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.92 15.83 50.58 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.894 -0.593 . . . . 73.41 113.123 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -73.24 114.85 35.15 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.785 0.834 . . . . 73.15 111.546 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.77 139.15 33.09 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.366 2.044 . . . . 53.11 110.359 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -54.62 -30.12 64.16 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.39 2.726 . . . . 74.13 113.152 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.74 -46.61 88.86 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.825 -1.08 . . . . 72.24 110.664 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -83.85 -13.48 53.56 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.179 -0.919 . . . . 52.12 111.74 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' OE1' HD11 ' A' ' 30' ' ' ILE . 17.7 tt0 -81.65 133.7 35.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.373 1.469 . . . . 53.3 110.804 178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.743 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 66.9 mtp180 -129.41 87.88 2.61 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 106.741 -1.577 . . . . 61.25 106.741 167.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.97 116.58 15.86 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.627 0.771 . . . . 74.23 110.279 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 68' ' ' ILE . 5.0 mm -111.14 135.98 48.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.084 0 C-N-CA 122.976 0.51 . . . . 62.24 109.655 175.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.83 103.93 7.33 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.864 -1.162 . . . . 74.43 107.864 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.56 13.47 7.28 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 124.141 0.901 . . . . 65.01 112.666 170.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.52 20.41 29.55 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.287 -0.415 . . . . 74.51 113.846 -174.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -125.06 136.21 53.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.596 1.159 . . . . 72.34 108.095 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -89.08 127.17 35.69 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 109.856 -0.424 . . . . 60.43 109.856 -176.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -88.95 113.1 24.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.511 -0.768 . . . . 72.52 109.229 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 54' ' ' ARG . 2.5 tm-20 -66.15 129.26 39.22 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.694 -0.854 . . . . 64.32 108.694 175.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -51.31 -51.76 51.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.028 1.331 . . . . 73.41 112.619 -168.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 18.18 56.66 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-O 119.804 -0.442 . . . . 73.01 113.903 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 33.7 ttt180 -93.65 174.97 6.92 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.109 -1.071 . . . . 70.45 108.109 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.4 m -108.35 149.63 28.43 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.824 1.193 . . . . 73.31 110.418 -170.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 61' ' ' ILE . 2.5 mm? -57.42 -42.81 83.07 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.588 0.755 . . . . 75.31 109.903 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 55' ' ' THR . 34.6 t -64.47 -30.79 71.82 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.224 1.01 . . . . 75.54 112.924 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -58.33 -36.72 73.81 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.09 0.471 . . . . 74.35 110.225 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.0 m-85 -88.66 -8.83 53.92 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.708 -0.678 . . . . 73.44 110.844 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 59.5 48.3 9.9 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 122.024 0.916 . . . . 52.32 109.074 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 56' ' ' LEU . 21.0 mt -66.38 111.08 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 114.929 -1.032 . . . . 71.31 111.027 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -82.79 178.88 7.97 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.456 -1.247 . . . . 73.21 110.731 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.69 164.46 23.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.78 -1.1 . . . . 75.42 111.43 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 48.02 30.83 2.18 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 126.482 1.913 . . . . 70.1 113.81 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.508 ' HB2' HG22 ' B' ' 103' ' ' ILE . 51.5 m -78.07 125.73 29.78 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.886 -0.597 . . . . 64.43 110.018 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.44 110.34 20.75 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.06 0.457 . . . . 60.35 110.142 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD23 HG12 ' B' ' 105' ' ' VAL . 0.5 OUTLIER -99.05 164.05 12.33 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.921 0.888 . . . . 61.34 108.697 175.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.573 ' HA ' ' HB3' ' B' ' 106' ' ' ASP . 4.5 tt -138.72 126.96 28.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 109.632 -0.507 . . . . 74.14 109.632 175.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HG22 ' B' ' 107' ' ' THR . 35.9 mt -96.68 120.0 36.19 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.41 -0.813 . . . . 70.0 108.98 175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 44.1 mt -93.28 120.14 33.23 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.539 -1.652 . . . . 75.35 106.539 173.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -70.38 162.51 28.49 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 108.946 -0.761 . . . . 74.34 108.946 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.3 m -32.34 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.923 0.889 . . . . 65.53 112.519 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' C' ' 760' ' ' ALA . 11.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 114.343 -1.299 . . . . 63.3 110.189 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ptt-85 . . . . . 0 CA--C 1.557 1.245 0 CA-C-O 118.698 -0.667 . . . . 65.33 110.597 -179.693 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 112.056 -0.418 . . . . 73.44 112.056 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.9 -171.45 3.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.925 0.89 . . . . 73.13 109.75 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -136.11 152.95 51.37 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.303 1.041 . . . . 64.4 108.619 -179.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 65' ' ' SER . 21.7 pt -142.57 165.02 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.955 0.502 . . . . 75.14 111.385 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -118.15 106.13 12.53 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 108.242 -1.022 . . . . 71.31 108.242 175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 67' ' ' LEU . 27.3 m -97.51 115.55 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 118.774 0.715 . . . . 72.4 109.249 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 68' ' ' ILE . 25.7 t70 -71.24 129.83 39.89 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.646 -0.501 . . . . 52.34 109.646 174.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 69' ' ' LEU . 73.4 p -130.29 133.91 46.82 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.803 1.241 . . . . 74.05 108.157 -176.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 4.1 p -125.49 119.57 55.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 121.491 0.662 . . . . 52.22 110.814 173.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 34' ' ' GLU . 67.5 mm-40 -112.71 106.14 14.45 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.056 -0.975 . . . . 54.0 108.405 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 6' ' ' ASP . 71.9 t-105 -82.03 147.04 29.37 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.232 -0.655 . . . . 74.03 109.232 171.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.502 ' HG3' ' OG1' ' A' ' 7' ' ' THR . 18.5 ptpt -158.87 147.99 18.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.259 -1.015 . . . . 73.13 108.259 171.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 56.6 m -118.96 123.37 44.42 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.662 -0.866 . . . . 72.23 108.662 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.432 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 32.0 mm -94.49 109.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 108.341 -0.985 . . . . 74.44 108.341 -177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.1 m -92.42 124.98 36.86 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.83 164.18 30.91 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 121.051 0.453 . . . . 43.33 111.016 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.07 143.82 27.53 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.524 -1.658 . . . . 63.44 106.524 170.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.08 163.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.194 0.452 . . . . 63.24 110.721 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.97 147.69 35.98 Favored Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.59 0.756 . . . . 64.42 109.489 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.07 -40.97 81.59 Favored 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 123.043 2.495 . . . . 73.02 112.787 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 22.8 m -79.91 -8.45 59.32 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.025 -0.534 . . . . 74.35 112.019 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.53 151.27 47.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.393 -0.595 . . . . 55.05 109.393 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.62 166.84 15.89 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.214 0.531 . . . . 71.52 110.175 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.672 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 29.4 mm -72.97 -21.22 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.791 -0.641 . . . . 64.54 110.352 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.6 pt-20 -58.82 -26.32 64.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.753 0.821 . . . . 74.33 111.873 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 60.1 m-80 -64.26 -54.98 24.73 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.479 -0.563 . . . . 43.31 109.479 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.24 -41.09 88.26 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 123.761 0.824 . . . . 62.31 110.453 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.586 ' HB2' HE22 ' B' ' 141' ' ' GLN . 37.3 pttt -63.8 -41.28 97.95 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 115.807 -0.633 . . . . 61.41 109.798 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.9 -28.06 63.25 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 122.836 0.454 . . . . 72.25 110.913 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 8.9 mmpt? -67.14 -52.11 45.57 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.309 0.38 . . . . 75.54 110.525 176.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.502 HD11 ' NE2' ' B' ' 141' ' ' GLN . 2.7 pp -70.89 -29.26 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 122.988 0.18 . . . . 74.1 111.37 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.57 -39.82 84.91 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.736 0.414 . . . . 70.44 110.117 175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.58 -52.24 27.95 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.408 0.683 . . . . 64.42 110.259 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -86.26 -51.06 6.5 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.537 -0.756 . . . . 74.11 111.774 -169.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.7 -18.81 27.1 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.662 0.385 . . . . 51.03 111.285 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.52 72.6 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.932 -0.371 . . . . 75.42 113.589 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.09 118.69 73.44 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.61 0.764 . . . . 63.14 110.117 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.474 ' HA ' ' HD2' ' B' ' 138' ' ' PRO . 38.6 Cg_exo -61.76 125.68 17.21 Favored 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.146 2.564 . . . . 64.3 111.775 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' B' ' 137' ' ' PRO . 6.8 Cg_endo -48.77 -39.23 38.67 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 124.019 3.146 . . . . 75.23 114.538 175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.67 -34.1 77.51 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.908 0.883 . . . . 74.12 111.292 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 22.8 mt-30 -103.97 17.46 24.06 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.664 0.785 . . . . 74.42 111.423 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.586 HE22 ' HB2' ' B' ' 127' ' ' LYS . 5.4 tt0 -102.54 110.33 22.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.821 1.248 . . . . 74.24 110.213 -175.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -94.85 81.32 3.76 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.312 0.645 . . . . 74.15 109.596 169.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.88 100.14 6.25 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.318 -1.364 . . . . 45.22 107.318 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.92 121.92 46.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.37 -0.604 . . . . 73.13 109.37 -174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 167' ' ' LEU . 65.2 t80 -109.36 104.94 14.13 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.274 1.03 . . . . 73.23 108.468 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 53.92 29.43 9.95 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.799 0.84 . . . . 70.12 113.166 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.74 17.81 37.17 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 114.425 0.53 . . . . 74.1 114.425 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.572 ' HE3' ' HD1' ' B' ' 159' ' ' TYR . 0.1 OUTLIER -142.71 123.31 14.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.282 0.633 . . . . 74.54 109.686 173.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.9 159.03 34.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.385 0.674 . . . . 64.53 111.935 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 43.3 mt -110.21 117.87 34.83 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.201 -0.909 . . . . 74.44 110.766 -175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.03 125.56 29.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.854 0.861 . . . . 43.42 109.292 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.672 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 7.2 p-10 -60.48 -34.0 73.41 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.435 0.694 . . . . 74.41 112.526 -172.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -86.36 9.05 71.82 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.508 -0.607 . . . . 71.34 113.814 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' B' ' 159' ' ' TYR . 21.5 ttm-85 -110.47 162.55 14.57 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.012 0.906 . . . . 64.35 109.053 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 40.6 p -96.47 157.6 15.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.217 0.607 . . . . 74.31 111.482 -171.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 123' ' ' ILE . 2.9 mm? -57.96 -38.28 75.73 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 124.38 1.072 . . . . 63.32 109.836 174.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.5 t -61.95 -39.67 92.92 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.959 0.904 . . . . 52.24 112.134 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.45 -31.28 65.77 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.068 0.855 . . . . 70.03 111.163 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.572 ' HD1' ' HE3' ' B' ' 148' ' ' LYS . 91.5 m-85 -90.17 -12.59 37.72 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.713 -0.676 . . . . 62.14 111.474 -177.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.97 52.54 2.58 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 123.079 1.419 . . . . 74.25 109.346 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.3 mm -68.44 114.16 5.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 113.536 -1.666 . . . . 64.24 110.082 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -85.08 156.2 21.18 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.529 0.68 . . . . 50.45 110.6 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.29 144.1 51.29 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-N 115.68 -0.691 . . . . 54.33 109.466 170.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 50.2 29.03 3.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.127 1.371 . . . . 73.12 112.824 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 78.4 p -62.51 127.07 29.59 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 110.458 -0.201 . . . . 71.3 110.458 167.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -91.55 128.29 37.32 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 109.381 -0.6 . . . . 75.24 109.381 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 145' ' ' PHE . 1.3 pt? -144.63 126.35 15.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.7 0.8 . . . . 73.12 109.511 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 12.6 pt -95.25 128.98 46.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.866 0.841 . . . . 73.1 110.129 -166.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.581 HD11 ' HG3' ' B' ' 141' ' ' GLN . 34.0 tp -99.11 103.33 15.23 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.136 -0.938 . . . . 72.24 109.158 177.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.7 mp -97.68 160.69 14.16 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.468 -1.242 . . . . 74.05 109.688 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.31 171.67 13.81 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.883 0.473 . . . . 61.52 110.035 171.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.445 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.7 t -44.73 100.64 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 114.505 1.298 . . . . 75.22 114.505 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -112.48 -83.98 0.58 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 106.35 -1.722 . . . . 61.31 106.35 160.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.619 -1.252 . . . . 55.25 107.619 163.725 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 112.531 -0.227 . . . . 60.11 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 45.6 p -142.93 27.09 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.695 0.798 . . . . 62.34 110.235 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.53 96.05 3.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.109 0.964 . . . . 73.31 109.044 -173.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 58.1 p -149.94 7.32 0.63 Allowed 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.382 -0.823 . . . . 73.53 112.196 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.82 105.56 17.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.784 0.834 . . . . 74.1 108.804 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 22.9 m -74.63 89.07 2.21 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.553 0.741 . . . . 75.45 110.345 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -173.13 -101.81 0.15 Allowed Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.837 -0.62 . . . . 63.43 112.048 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 78.3 mtp 67.1 136.83 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 125.35 1.46 . . . . 72.22 112.552 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' C' ' 744' ' ' ALA . . . -86.73 -105.51 0.06 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.712 0.805 . . . . 71.21 111.257 -173.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 70.0 m -156.36 -74.1 0.1 Allowed 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 118.744 0.702 . . . . 74.42 110.154 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -81.87 -26.27 34.33 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.683 0.754 . . . . 63.33 109.717 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' C' ' 741' ' ' ALA . . . -73.66 -11.39 60.4 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.459 -1.246 . . . . 62.3 112.065 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -52.4 -47.38 66.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 123.794 0.838 . . . . 75.31 111.822 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 30.9 mm-40 -55.13 -44.33 74.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.726 0.81 . . . . 75.42 110.849 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -72.49 -50.75 23.77 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 114.113 -1.403 . . . . 72.1 111.435 -170.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.76 -31.53 72.8 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.763 0.664 . . . . 65.32 110.936 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.72 -33.6 68.86 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.531 0.519 . . . . 43.34 110.639 175.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 36.9 mm-40 -66.21 -39.82 89.9 Favored 'General case' 0 C--O 1.207 -1.157 0 N-CA-C 109.736 -0.468 . . . . 63.44 109.736 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.54 -35.55 77.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.703 0.801 . . . . 65.42 110.826 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -72.22 -39.0 68.85 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.386 -0.968 . . . . 75.22 108.386 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' C' ' 756' ' ' THR . 0.6 OUTLIER -63.91 -38.69 92.0 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.198 0.599 . . . . 73.2 109.959 174.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.611 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 13.4 m-85 -66.77 -37.43 84.58 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.194 -0.669 . . . . 75.22 109.194 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -67.27 -33.8 76.08 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 123.867 0.729 . . . . 75.31 110.206 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' C' ' 753' ' ' LEU . 62.6 m -60.63 -43.58 97.36 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 122.924 0.49 . . . . 74.03 110.465 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.44 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 18.4 m-85 -65.65 -57.18 8.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.938 0.495 . . . . 75.03 111.442 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.445 HG13 ' O ' ' C' ' 754' ' ' PHE . 55.1 mt -61.47 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 O-C-N 124.343 1.027 . . . . 74.44 110.237 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.78 -41.84 92.01 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 123.693 0.621 . . . . 73.24 110.521 -174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.537 ' HA ' HD13 ' A' ' 73' ' ' LEU . . . -74.61 -36.27 62.95 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 123.868 0.73 . . . . 65.31 112.163 -176.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.73 ' SD ' HD22 ' C' ' 762' ' ' LEU . 3.8 ppp? -77.96 -28.93 49.56 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.737 -0.21 . . . . 73.33 110.477 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.73 HD22 ' SD ' ' C' ' 761' ' ' MET . 3.9 mm? -79.78 -25.0 41.09 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.634 1.174 . . . . 70.43 110.429 175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 1.3 m -61.94 -17.67 57.65 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 123.967 0.907 . . . . 75.1 111.234 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -111.02 -51.05 2.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.639 0.776 . . . . 71.31 109.149 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 10' ' ' TRP . 7.3 mp -97.71 61.86 1.62 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.225 1.01 . . . . 64.41 111.333 -176.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.97 70.22 8.84 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.729 -0.607 . . . . 62.34 110.992 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 10.3 m 173.72 92.2 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.244 2.217 . . . . 73.15 108.195 176.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.446 HD11 HD21 ' C' ' 762' ' ' LEU . 2.8 pp -162.11 146.83 12.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.724 0.773 . . . . 62.32 112.689 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.3 t -72.16 157.43 37.77 Favored 'General case' 0 C--O 1.25 1.099 0 CA-C-N 114.931 -1.031 . . . . 72.5 110.401 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.624 HD11 HD12 ' C' ' 795' ' ' LEU . 13.9 tp -55.73 -25.86 42.53 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.789 -1.096 . . . . 71.42 112.094 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.79 -53.84 46.63 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.842 0.857 . . . . 75.54 112.047 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 -60.41 -52.19 66.3 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.536 0.734 . . . . 75.13 111.415 -174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.544 HD12 HD21 ' C' ' 799' ' ' LEU . 0.0 OUTLIER -67.09 -39.14 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 115.021 -0.991 . . . . 42.05 110.695 -177.102 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.546 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 22.0 t80 -56.18 -49.82 72.94 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.593 -0.521 . . . . 72.1 109.593 173.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . 0.444 HD22 ' HD1' ' C' ' 774' ' ' TYR . 0.9 OUTLIER -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 124.254 0.971 . . . . 70.13 111.404 -176.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 80.1 mtp -63.62 -58.2 7.68 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.347 0.404 . . . . 64.44 110.835 172.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.409 HD11 HD11 ' C' ' 758' ' ' ILE . 9.4 mp -58.3 -34.93 71.1 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.845 0.458 . . . . 74.32 110.736 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -69.81 -37.86 76.4 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 124.581 1.152 . . . . 71.32 110.472 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.44 -57.41 13.04 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.042 0.937 . . . . 61.13 110.573 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . 0.611 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 57.9 m-85 -65.46 -27.93 68.85 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 111.49 0.182 . . . . 73.14 111.49 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.623 ' HA ' ' HB3' ' C' ' 786' ' ' ALA . 1.6 t -69.3 -44.61 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.331 0.652 . . . . 73.52 111.375 172.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.79 -20.64 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 120.703 0.287 . . . . 65.03 111.225 -168.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 18.8 p -75.6 -20.09 58.81 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.572 0.582 . . . . 73.34 112.572 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -144.73 -163.14 9.88 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-O 119.93 -0.372 . . . . 73.3 113.071 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -84.51 4.45 6.88 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 122.91 2.407 . . . . 64.01 113.159 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -49.63 106.07 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.94 1.296 . . . . 74.21 112.148 -174.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 84.2 mt 68.97 -0.52 2.39 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.346 1.458 . . . . 73.24 113.776 174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 53.7 43.69 30.72 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.605 0.762 . . . . 75.33 111.747 -176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' C' ' 781' ' ' VAL . 1.3 mp0 75.3 121.92 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.102 1.761 . . . . 52.12 113.364 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.563 HG12 HG21 ' C' ' 781' ' ' VAL . 16.7 pt -108.42 155.27 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.635 1.174 . . . . 63.2 109.527 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' C' ' 795' ' ' LEU . 9.8 p-10 -124.87 -171.38 2.34 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.981 0.912 . . . . 63.31 109.709 -169.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.97 -47.76 21.8 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.319 1.012 . . . . 61.2 111.46 175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.61 -59.5 5.35 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.284 0.99 . . . . 74.31 111.795 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.91 -36.32 83.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.086 0.554 . . . . 75.05 112.062 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.624 HD12 HD11 ' C' ' 770' ' ' LEU . 0.2 OUTLIER -64.72 -50.45 66.87 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.684 0.794 . . . . 71.53 109.732 177.438 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -57.99 -41.77 83.73 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 114.613 -1.176 . . . . 55.13 111.111 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.29 96.28 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 124.311 1.007 . . . . 44.12 112.713 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.52 -54.39 47.54 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.541 0.736 . . . . 72.24 109.982 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.544 HD21 HD12 ' C' ' 773' ' ' ILE . 4.5 mm? -59.04 -45.74 89.98 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.484 -0.78 . . . . 75.45 111.124 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -55.22 -43.64 74.67 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.852 1.261 . . . . 73.35 110.078 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -54.46 30.97 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.101 0.876 . . . . 62.53 109.518 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -55.01 -37.62 66.85 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 112.933 0.716 . . . . 52.12 112.933 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.413 HG23 ' O ' ' C' ' 799' ' ' LEU . 74.0 t -65.88 -48.49 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.018 0.527 . . . . 71.32 109.925 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' C' ' 804' ' ' ARG . 55.1 mtt85 -74.51 -14.61 60.84 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.896 0.702 . . . . 72.44 112.896 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.47 1.1 55.48 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.468 1.107 . . . . 73.35 111.239 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 59.37 34.54 22.83 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.115 1.366 . . . . 74.22 110.689 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -118.25 0.25 11.68 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.151 1.38 . . . . 74.31 110.21 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.33 36.59 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.502 -1.296 . . . . 64.1 107.502 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 46.1 t -105.8 117.43 51.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.842 0 N-CA-C 108.654 -0.869 . . . . 60.32 108.654 168.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.12 107.3 19.13 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.349 -1.352 . . . . 73.22 107.349 170.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.548 ' HB2' HG13 ' C' ' 814' ' ' VAL . 19.6 m -83.36 -157.04 0.22 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.087 -0.708 . . . . 72.53 109.087 173.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -70.69 77.06 0.6 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 118.72 0.691 . . . . 42.31 111.375 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.39 18.31 79.86 Favored Glycine 0 C--N 1.359 1.82 0 CA-C-N 115.708 -0.678 . . . . 72.51 113.082 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' C' ' 811' ' ' SER . 7.2 p -138.46 137.82 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 109.122 -0.696 . . . . 74.14 109.122 -177.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -97.88 143.21 28.71 Favored 'General case' 0 C--O 1.247 0.971 0 C-N-CA 122.779 0.432 . . . . 75.21 110.241 -174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' C' ' 762' ' ' LEU . 0.5 OUTLIER -160.3 147.14 15.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.258 -0.883 . . . . 72.31 109.621 177.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.722 ' HB3' ' HG2' ' C' ' 819' ' ' LYS . 7.0 mp -84.05 144.94 45.24 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 122.374 -0.204 . . . . 34.31 111.53 176.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.29 47.53 2.28 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 123.361 2.708 . . . . 74.53 113.156 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . 0.722 ' HG2' ' HB3' ' C' ' 817' ' ' LEU . 32.1 mmtp -87.57 -18.9 28.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.958 0.503 . . . . 73.11 111.753 -176.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -64.68 -26.77 68.52 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.851 0.46 . . . . 71.5 110.694 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 44.2 t -59.27 -32.5 70.08 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 123.564 0.746 . . . . 43.44 110.522 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 CA--C 1.561 1.399 0 C-N-CA 125.052 1.341 . . . . 55.42 111.024 173.724 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 110.983 -0.847 . . . . 54.15 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.12 150.73 25.9 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.472 0.709 . . . . 70.21 109.265 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -96.43 164.19 12.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.944 -0.571 . . . . 75.33 111.057 -178.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' B' ' 165' ' ' SER . 30.4 mt -138.14 154.33 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 124.003 0.921 . . . . 74.03 109.262 174.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -115.85 102.52 9.77 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 107.284 -1.376 . . . . 70.43 107.284 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 58.8 t -90.76 94.18 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.492 -0.558 . . . . 75.34 109.492 -178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.82 96.68 5.7 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.659 -0.497 . . . . 45.13 109.659 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' B' ' 169' ' ' LEU . 14.4 t -93.32 121.1 34.36 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 108.883 -0.784 . . . . 63.51 108.883 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.08 132.06 38.37 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 115.84 -0.618 . . . . 72.32 109.5 -174.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.619 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 84.2 mm-40 -116.81 84.6 2.17 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.604 -0.726 . . . . 73.21 109.782 -173.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.534 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 29.3 t-105 -105.24 105.52 15.6 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 114.798 -1.092 . . . . 75.43 108.983 176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' HE2' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -138.63 149.38 45.15 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.102 0.961 . . . . 74.13 108.95 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.428 HG22 ' HB3' ' B' ' 104' ' ' PHE . 7.8 m -94.77 117.37 30.03 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.243 -0.651 . . . . 74.14 109.243 175.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 14.2 mt -96.37 165.46 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.28 1.032 . . . . 73.24 109.971 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -121.34 130.02 53.4 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 123.518 0.727 . . . . 73.51 109.13 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 152.74 38.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.888 0.875 . . . . 64.44 109.576 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 31.6 tt0 -91.69 146.53 23.7 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 109.984 -0.376 . . . . 73.34 109.984 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -134.95 166.38 28.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 124.089 0.956 . . . . 72.34 109.5 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -108.86 145.76 32.36 Favored Pre-proline 0 C--N 1.354 0.787 0 C-N-CA 122.799 0.44 . . . . 73.12 110.17 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.18 -34.76 26.99 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 123.04 2.493 . . . . 73.33 112.366 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -80.07 -11.46 59.76 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.631 -0.713 . . . . 60.53 111.834 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.89 161.27 21.93 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 122.806 0.442 . . . . 63.15 110.721 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -82.48 160.3 22.69 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.289 0.566 . . . . 74.4 110.459 170.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.2 mm -65.69 -24.72 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-N 114.913 -1.04 . . . . 74.24 110.026 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -22.31 66.0 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.992 0.517 . . . . 64.12 111.096 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m-20 -62.78 -50.59 70.42 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.128 -0.693 . . . . 72.01 109.128 171.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.3 t -58.79 -44.55 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.903 0.881 . . . . 63.01 110.105 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' OE1' ' A' ' 41' ' ' GLN . 38.3 ttpt -54.21 -46.73 72.55 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.417 -1.265 . . . . 72.35 110.748 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.62 -29.49 64.72 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.01 -0.996 . . . . 73.14 111.749 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 71.8 mmtt -70.92 -49.22 48.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.493 0.317 . . . . 53.42 110.619 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.414 HD11 ' OE1' ' A' ' 41' ' ' GLN . 11.2 pt -70.25 -27.54 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.441 0.297 . . . . 75.13 110.992 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.11 -39.54 90.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.333 0.653 . . . . 72.2 110.983 168.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.82 -42.48 70.18 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.939 0.896 . . . . 65.15 110.999 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -89.01 -60.15 2.03 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.003 . . . . 73.11 111.788 -171.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -85.78 -36.44 20.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.714 0.406 . . . . 54.31 110.096 -176.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 33.67 9.03 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.11 -0.495 . . . . 61.11 112.762 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -77.67 122.71 86.16 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 108.305 -0.998 . . . . 45.34 108.305 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 27.3 Cg_endo -61.94 119.6 6.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.852 2.368 . . . . 64.24 112.233 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 14.9 Cg_endo -52.92 -49.28 18.14 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 124.498 3.466 . . . . 72.35 113.954 -175.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -83.2 -1.97 54.37 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.717 -0.674 . . . . 70.33 111.878 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 24.8 mt-30 -115.85 8.39 14.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.597 0.759 . . . . 65.13 111.11 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' OE1' HD11 ' A' ' 30' ' ' ILE . 1.9 pt20 -118.46 156.11 29.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.129 0.572 . . . . 72.15 110.608 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.664 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 44.3 mtp180 -136.04 108.91 7.58 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 107.799 -1.185 . . . . 74.21 107.799 -174.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' A' ' 67' ' ' LEU . 6.7 mp -85.97 119.33 26.16 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.156 -0.683 . . . . 72.11 109.156 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.653 HG21 ' HE1' ' C' ' 757' ' ' TYR . 78.8 mt -129.28 140.68 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 123.307 0.643 . . . . 71.22 110.368 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.2 m-85 -110.04 -160.67 0.72 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.143 -1.428 . . . . 61.43 107.143 172.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.73 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.575 1.15 . . . . 55.13 113.203 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 60.07 32.32 75.45 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 114.922 -1.035 . . . . 53.1 113.394 -172.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.82 133.91 55.43 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.706 0.253 . . . . 73.14 110.829 -174.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.96 106.16 18.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.715 0.806 . . . . 74.51 110.249 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.753 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.5 mm? -83.35 92.17 7.48 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.629 0.771 . . . . 61.12 109.372 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.04 119.85 9.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.942 -1.026 . . . . 71.54 108.953 168.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.9 p-10 -61.75 -32.39 72.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.012 0.434 . . . . 63.2 111.061 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.23 8.42 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-O 119.674 -0.514 . . . . 74.23 113.693 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' O ' HG12 ' A' ' 23' ' ' ILE . 54.6 ttt180 -123.19 171.47 9.32 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.648 -0.871 . . . . 74.25 108.648 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 m -101.44 148.78 24.78 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 119.857 1.208 . . . . 72.33 112.249 -166.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.98 -49.44 75.74 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.495 0.718 . . . . 75.13 111.033 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.787 -0.642 . . . . 73.43 112.175 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -36.01 70.98 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.221 0.951 . . . . 74.14 110.734 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.92 -16.14 32.58 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 115.981 -0.554 . . . . 72.1 111.039 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.8 t30 63.33 64.32 0.83 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.571 1.148 . . . . 74.23 110.96 -169.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.69 114.29 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 108.322 -0.992 . . . . 55.12 108.322 165.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -101.42 174.97 5.73 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.278 0.631 . . . . 45.2 110.383 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -73.27 138.88 45.76 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.181 0.593 . . . . 34.31 110.741 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.51 31.0 20.71 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.283 1.433 . . . . 75.02 112.714 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -85.36 140.25 30.92 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 109.701 -0.481 . . . . 74.2 109.701 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.82 120.57 39.96 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 121.037 0.446 . . . . 64.44 112.098 -171.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 43' ' ' LEU . 6.9 tt -110.15 130.6 55.51 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.284 1.434 . . . . 71.12 108.874 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.718 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 11.8 tt -94.75 139.1 19.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 123.293 0.637 . . . . 54.04 110.142 173.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.13 110.1 22.24 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.559 0.743 . . . . 62.05 110.355 174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 89.5 mt -96.36 116.02 28.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.555 -1.202 . . . . 61.33 108.427 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.502 HD13 HG13 ' B' ' 108' ' ' VAL . 10.5 mp -75.3 170.47 16.02 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.286 -0.635 . . . . 62.21 109.286 169.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.6 m -35.03 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.14 1.376 . . . . 73.11 113.655 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' C' ' 760' ' ' ALA . 9.3 tt -62.56 -54.01 46.12 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.504 -1.226 . . . . 64.3 109.927 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 114.526 -1.215 . . . . 65.11 107.97 -178.186 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.285 -0.326 . . . . 73.2 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' B' ' 101' ' ' MET . 0.0 OUTLIER -147.54 149.89 33.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.515 0.726 . . . . 73.2 110.184 -176.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.534 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -92.69 152.6 19.44 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.757 -0.656 . . . . 72.25 109.984 -173.153 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 18.9 pt -141.0 164.62 20.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 124.089 0.956 . . . . 65.04 110.176 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -105.01 135.74 45.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.739 -1.119 . . . . 70.21 108.429 174.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 67' ' ' LEU . 16.0 m -120.79 107.46 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-O 121.777 0.799 . . . . 75.4 110.471 175.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.718 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 3.4 m-20 -66.37 96.33 0.35 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.654 -1.157 . . . . 73.15 109.362 173.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 55.5 p -100.99 140.83 34.75 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.292 1.037 . . . . 65.43 110.351 -175.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 2.3 p -128.17 123.35 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.397 0.679 . . . . 61.1 109.803 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -129.31 129.59 45.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.109 1.364 . . . . 75.24 108.598 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -80.24 142.34 34.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.0 0.52 . . . . 72.15 109.786 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.425 ' HB2' HG23 ' A' ' 7' ' ' THR . 62.8 mttm -132.45 89.46 2.66 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.617 -0.882 . . . . 73.41 108.617 172.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.9 m -77.18 108.36 10.23 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.345 -0.843 . . . . 61.42 109.514 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.446 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 15.7 mm -92.0 104.52 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 107.037 -1.468 . . . . 61.24 107.037 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 95.8 m -90.28 111.8 23.13 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.597 -0.89 . . . . 44.35 108.597 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.25 162.53 25.98 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.73 -0.668 . . . . 63.22 109.483 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.0 tt0 -113.81 140.41 48.34 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.076 -1.083 . . . . 75.21 108.076 166.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.03 171.04 17.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 123.519 0.727 . . . . 70.32 109.925 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -114.77 151.97 45.91 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.272 0.629 . . . . 63.45 109.567 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.82 -37.19 28.51 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.837 2.358 . . . . 62.22 112.827 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 25.3 m -82.38 -8.12 59.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.123 -0.49 . . . . 72.33 111.187 -174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -74.65 149.79 39.85 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.572 -0.529 . . . . 73.12 109.572 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -85.5 169.09 13.93 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.005 0.815 . . . . 62.14 111.053 174.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 34.1 mm -72.13 -16.86 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.268 0.627 . . . . 63.23 110.47 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.425 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -62.12 -30.15 70.83 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 122.977 0.511 . . . . 75.33 110.583 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 38.3 m-80 -62.48 -48.43 79.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.748 -0.464 . . . . 74.34 109.748 172.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.5 -44.87 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.614 0.766 . . . . 74.32 111.016 -176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' B' ' 124' ' ' GLU . 54.8 pttt -65.12 -37.34 87.13 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 122.372 0.269 . . . . 72.31 110.384 178.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.59 74.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 115.993 -0.548 . . . . 61.33 111.28 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 68.8 mmtt -71.33 -47.91 53.67 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 110.348 -0.242 . . . . 71.44 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' B' ' 136' ' ' ILE . 28.4 pt -67.88 -31.09 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 119.857 -0.116 . . . . 61.4 111.043 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.83 -48.2 55.28 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.63 0.372 . . . . 62.34 111.277 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.47 -49.56 76.31 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.759 0.79 . . . . 75.34 110.912 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -84.92 -55.52 4.03 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.406 -1.27 . . . . 50.31 110.44 -173.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -98.61 -21.1 16.63 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.618 0.229 . . . . 62.32 111.618 -167.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.91 14.05 68.09 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.778 -0.457 . . . . 40.54 113.5 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.44 HD12 ' HB ' ' B' ' 130' ' ' ILE . 69.2 mt -70.97 117.69 58.52 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 109.525 -0.546 . . . . 62.02 109.525 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.702 ' HB2' ' HG2' ' B' ' 140' ' ' GLN . 23.4 Cg_exo -62.47 122.93 11.52 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 123.159 2.573 . . . . 53.31 111.958 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -57.78 -38.56 92.46 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 123.654 2.903 . . . . 71.11 113.42 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.44 -30.77 71.85 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.623 0.769 . . . . 53.15 112.298 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.702 ' HG2' ' HB2' ' B' ' 137' ' ' PRO . 2.6 pt20 -111.02 27.89 9.25 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 120.994 0.426 . . . . 73.53 111.191 177.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.517 ' HG3' HD11 ' B' ' 169' ' ' LEU . 17.7 tt0 -70.75 82.38 0.63 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.05 -0.722 . . . . 74.22 109.05 169.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 126.85 41.28 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.079 -1.452 . . . . 63.41 107.079 172.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.705 HD21 ' H ' ' B' ' 150' ' ' LEU . 0.0 OUTLIER -141.23 153.14 45.11 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 122.941 0.497 . . . . 72.11 110.108 -176.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -119.39 110.12 16.58 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 106.847 -1.538 . . . . 52.04 106.847 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 165' ' ' SER . 64.7 t80 -108.75 99.73 9.05 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.802 -1.184 . . . . 74.11 107.802 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 45.83 32.83 1.37 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.935 0.894 . . . . 51.45 113.022 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.81 25.3 27.75 Favored Glycine 0 C--N 1.359 1.848 0 C-N-CA 123.117 0.389 . . . . 71.32 114.07 -176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -129.51 172.84 11.14 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.0 0.92 . . . . 63.44 110.759 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -117.51 134.89 54.36 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.616 -1.254 . . . . 64.21 107.616 163.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.705 ' H ' HD21 ' B' ' 143' ' ' LEU . 0.3 OUTLIER -81.69 96.07 7.42 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.957 -1.498 . . . . 63.45 106.957 164.669 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.493 ' HB3' ' HD3' ' B' ' 154' ' ' ARG . 34.3 tt0 -73.44 132.55 43.08 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.045 -0.98 . . . . 65.44 110.234 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -43.47 -45.52 6.43 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.063 1.745 . . . . 73.43 113.823 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.74 15.54 19.52 Favored Glycine 0 C--N 1.343 0.929 0 CA-C-N 114.819 -1.082 . . . . 63.34 115.432 -172.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.493 ' HD3' ' HB3' ' B' ' 151' ' ' GLU . 0.8 OUTLIER -118.74 174.07 6.49 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 117.957 0.879 . . . . 73.21 111.391 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 31.0 p -97.45 173.45 7.17 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.708 1.203 . . . . 52.4 110.408 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.13 -35.77 71.86 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 115.707 -0.678 . . . . 74.33 109.459 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 31.4 t -66.49 -29.7 69.87 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.605 0.762 . . . . 34.15 111.074 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -54.8 -33.59 61.7 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.721 0.809 . . . . 74.21 111.781 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -102.59 -1.97 29.32 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.416 -0.811 . . . . 64.35 110.941 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 66.8 t30 51.6 47.48 24.72 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.152 0.981 . . . . 63.41 109.994 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 9.5 mm -52.41 119.25 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 114.177 -1.374 . . . . 74.14 111.246 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -79.19 149.62 31.9 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-O 121.393 0.616 . . . . 73.41 110.77 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -63.02 126.25 26.7 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.351 -0.981 . . . . 63.4 108.351 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 72.09 35.45 1.27 Allowed 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.35 1.031 . . . . 73.34 109.816 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.413 ' HB2' HG23 ' A' ' 3' ' ' ILE . 58.6 m -50.62 146.75 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 116.259 -0.428 . . . . 70.32 111.669 161.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -130.55 126.56 37.08 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.163 0.585 . . . . 62.15 110.119 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -144.46 156.78 44.35 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.375 0.67 . . . . 64.54 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.3 tt -106.63 110.67 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.527 0.68 . . . . 73.14 110.165 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.517 HD11 ' HG3' ' B' ' 141' ' ' GLN . 7.6 tt -99.61 141.07 32.89 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.329 -0.989 . . . . 53.21 108.329 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -141.22 141.29 34.04 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 123.737 0.815 . . . . 73.52 108.92 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.433 ' HG ' HG23 ' B' ' 136' ' ' ILE . 7.0 mp -75.17 96.46 3.29 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.675 -0.861 . . . . 63.41 108.675 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 91.9 m -149.99 145.14 26.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.446 0.698 . . . . 71.41 110.122 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 34.2 tp -88.61 146.57 25.04 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.731 0.812 . . . . 65.31 109.151 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 109.148 -0.686 . . . . 73.15 109.148 -178.901 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 112.628 -0.189 . . . . 75.24 112.628 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 30.3 p -90.13 84.03 6.09 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.602 0.761 . . . . 52.3 111.036 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 72.67 -70.16 0.17 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.836 1.654 . . . . 74.44 112.786 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 12.4 m 79.49 -57.44 0.39 Allowed 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.889 1.676 . . . . 51.32 110.537 -173.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -81.68 78.89 8.37 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.171 0.589 . . . . 71.42 110.054 -176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 29.4 p -165.91 115.38 0.99 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 64.33 109.21 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 142.88 62.9 0.02 OUTLIER Glycine 0 C--O 1.22 -0.72 0 N-CA-C 111.439 -0.664 . . . . 74.43 111.439 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 53.8 mtm 58.32 -99.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.682 1.193 . . . . 74.15 112.225 170.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.01 68.44 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.577 0.751 . . . . 63.31 110.311 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 57.99 37.86 26.73 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.884 1.365 . . . . 51.41 109.395 -173.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.07 -68.25 0.1 Allowed 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.615 -1.175 . . . . 71.23 108.778 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.85 76.32 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.187 0.995 . . . . 74.04 111.462 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -48.82 51.1 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-N 113.925 -1.489 . . . . 73.3 111.183 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -46.49 -60.22 2.49 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 125.303 1.627 . . . . 45.05 110.392 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 14.7 ptpt -60.03 -42.53 94.59 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 123.898 0.749 . . . . 71.41 111.998 -170.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.31 -57.79 11.47 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.98 0.8 . . . . 64.22 111.491 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.27 -21.41 62.1 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.42 -0.809 . . . . 71.33 110.689 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -84.06 -27.8 28.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.565 1.146 . . . . 65.41 110.365 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 62.3 mt -69.5 -37.13 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.368 -0.975 . . . . 71.14 108.368 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -62.68 -40.44 97.11 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.794 -0.639 . . . . 73.03 109.437 171.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -40.18 93.57 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.298 0.639 . . . . 51.21 111.383 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.479 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 35.0 m-85 -66.46 -33.33 75.45 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.854 0.359 . . . . 63.34 110.559 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -73.09 -29.76 63.17 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.691 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 88.5 m -64.06 -37.48 87.58 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.283 -0.636 . . . . 71.53 109.283 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.653 ' HE1' HG21 ' A' ' 44' ' ' ILE . 24.9 m-85 -63.73 -66.38 0.55 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 116.285 -0.416 . . . . 75.04 110.525 172.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -35.63 69.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 124.243 0.964 . . . . 71.43 111.652 -167.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' C' ' 817' ' ' LEU . 6.3 tt0 -70.91 -49.54 44.63 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.411 0.284 . . . . 71.51 110.404 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 73' ' ' LEU . . . -73.03 -23.14 60.56 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.861 0.689 . . . . 75.02 112.861 -174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.759 ' HE1' HD11 ' C' ' 765' ' ' LEU . 5.3 ppp? -88.38 -48.65 7.48 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 119.154 -0.45 . . . . 61.25 110.092 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.479 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 18.6 mt -69.32 -16.45 63.55 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 118.498 0.59 . . . . 74.23 112.529 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 7.8 t -71.14 -21.33 62.21 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.457 0.571 . . . . 54.23 110.073 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -98.01 -62.43 1.25 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.587 0.755 . . . . 70.24 110.256 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.759 HD11 ' HE1' ' C' ' 761' ' ' MET . 0.3 OUTLIER -96.94 64.04 1.98 Allowed 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.395 1.093 . . . . 71.33 110.319 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.27 79.92 1.32 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 114.352 -1.295 . . . . 65.4 112.025 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 5.0 m 162.99 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 126.725 2.01 . . . . 73.1 109.091 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.565 HD22 ' HG2' ' C' ' 772' ' ' ARG . 95.5 mt -134.29 142.31 47.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.17 0.588 . . . . 71.14 110.457 175.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.8 t -69.62 160.62 31.22 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 108.646 -0.872 . . . . 64.42 108.646 163.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.407 HD21 HD12 ' C' ' 795' ' ' LEU . 2.7 tt -57.26 -30.73 64.9 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 122.953 0.501 . . . . 74.32 110.585 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . 0.496 ' HB2' HH11 ' C' ' 772' ' ' ARG . 7.8 m-20 -49.44 -37.3 25.22 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.471 1.108 . . . . 72.53 113.394 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.565 ' HG2' HD22 ' C' ' 768' ' ' LEU . 6.9 mpt_? -70.94 -66.43 0.61 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.869 0.467 . . . . 64.33 109.975 -174.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.556 HD13 HD21 ' C' ' 799' ' ' LEU . 2.4 pp -62.45 -24.5 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.858 -0.61 . . . . 75.44 111.791 -178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.658 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 23.9 t80 -64.02 -60.42 3.27 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 123.257 0.623 . . . . 74.11 109.776 170.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -54.76 -36.27 64.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.537 1.135 . . . . 70.4 111.746 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 76.7 mtp -72.6 -53.89 10.64 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.434 -0.803 . . . . 63.31 111.524 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.87 -35.7 73.42 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 120.798 0.332 . . . . 65.31 110.645 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' C' ' 781' ' ' VAL . 10.3 tpt180 -67.87 -38.28 82.86 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.291 1.036 . . . . 73.14 110.169 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 44.9 ttp -58.73 -57.43 13.06 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 109.426 -0.583 . . . . 75.21 109.426 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -57.23 -40.04 76.73 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.6 0.562 . . . . 63.44 112.313 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.598 HG11 HG12 ' C' ' 790' ' ' ILE . 31.7 m -68.69 -43.32 83.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 118.987 -0.53 . . . . 74.54 112.039 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.81 -32.62 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.5 0.591 . . . . 73.35 112.197 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 24.7 p -72.83 -25.76 61.24 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.054 0.541 . . . . 74.23 111.878 -172.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.2 -160.47 9.69 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-N 115.466 -0.788 . . . . 75.03 112.311 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.56 4.15 7.06 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 123.193 2.595 . . . . 74.44 112.292 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -57.17 99.64 0.04 OUTLIER 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.466 1.104 . . . . 75.03 111.856 -170.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 81.1 mt 63.67 2.17 1.22 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.306 1.443 . . . . 70.43 113.278 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 49.67 57.79 6.13 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 124.023 0.929 . . . . 74.22 112.343 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 66.32 114.5 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.381 1.472 . . . . 74.33 113.247 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.598 HG12 HG11 ' C' ' 781' ' ' VAL . 21.0 pt -101.24 161.46 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.025 0.93 . . . . 70.14 110.155 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.25 -171.26 2.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.692 -0.685 . . . . 74.12 109.188 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . 0.548 ' O ' ' HB3' ' C' ' 796' ' ' GLN . 4.0 mm? -60.6 -26.54 67.05 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.041 0.756 . . . . 51.04 113.041 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -57.67 -54.6 45.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.157 0.979 . . . . 53.13 109.568 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' C' ' 790' ' ' ILE . 16.4 mm-40 -70.98 -40.45 71.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 112.957 -1.929 . . . . 74.24 109.578 -173.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.658 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -68.3 -62.78 1.24 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 114.935 -1.029 . . . . 64.23 110.011 -177.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' C' ' 792' ' ' LEU . 7.1 tt0 -55.2 -40.55 70.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.504 0.722 . . . . 73.41 110.665 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -63.6 -34.71 90.67 Favored Glycine 0 C--N 1.35 1.331 0 O-C-N 123.89 0.744 . . . . 43.43 113.142 176.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -65.39 -51.15 62.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.913 0.885 . . . . 73.14 110.328 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.556 HD21 HD13 ' C' ' 773' ' ' ILE . 3.9 mm? -60.09 -48.51 81.4 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 115.882 -0.599 . . . . 53.15 110.673 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -50.62 -46.21 58.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.016 1.326 . . . . 65.43 110.727 176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.68 -56.07 26.97 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 124.074 0.859 . . . . 73.32 110.499 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.6 mmtt -58.33 -31.14 67.28 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.963 0.727 . . . . 75.15 112.963 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 92.0 t -72.76 -45.89 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 122.566 0.346 . . . . 75.52 110.105 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.72 -23.02 66.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.248 0.619 . . . . 72.04 111.605 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -88.38 2.51 52.46 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 124.128 0.971 . . . . 71.2 111.6 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 15.17 5.88 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 125.246 1.418 . . . . 74.41 111.707 -175.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.47 -18.19 27.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.63 1.172 . . . . 75.43 111.251 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' C' ' 817' ' ' LEU . 0.8 OUTLIER -147.16 134.76 20.99 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 107.847 -1.168 . . . . 72.01 107.847 -175.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.38 149.37 8.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.97 0.89 . . . . 74.2 111.115 177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -114.81 108.64 17.02 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 113.236 -1.802 . . . . 75.03 107.646 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 32.2 t -84.92 -147.33 0.1 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.243 -1.021 . . . . 74.32 108.243 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.09 77.57 0.94 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.226 0.921 . . . . 73.34 110.664 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.88 14.85 81.25 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.75 -0.659 . . . . 44.04 113.842 176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.88 146.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 123.0 0.52 . . . . 75.3 110.728 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -98.87 143.31 29.32 Favored 'General case' 0 C--O 1.247 0.933 0 C-N-CA 123.983 0.913 . . . . 70.32 111.97 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.43 ' O ' HD23 ' C' ' 808' ' ' LEU . 27.9 ptt180 -160.36 158.72 30.13 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 114.939 -1.028 . . . . 75.03 110.116 170.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.615 HD23 ' HG ' ' C' ' 808' ' ' LEU . 96.4 mt -82.28 133.4 50.62 Favored Pre-proline 0 N--CA 1.474 0.766 0 CA-C-O 119.704 -0.189 . . . . 71.43 111.426 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.07 111.84 3.36 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.75 2.3 . . . . 63.55 111.059 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -98.96 -13.61 19.87 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 122.905 0.482 . . . . 62.23 110.703 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -163.05 -56.9 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.72 0.808 . . . . 75.15 110.62 -175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 63.5 m 58.58 178.51 0.07 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.298 1.439 . . . . 61.03 111.995 -169.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.562 1.44 0 CA-C-O 117.798 -1.096 . . . . 44.12 109.931 -175.6 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 112.442 -0.263 . . . . 51.3 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -124.06 156.72 36.05 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.851 0.861 . . . . 74.43 109.539 -175.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' B' ' 163' ' ' LYS . 12.9 mm-40 -89.29 165.78 14.19 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.115 0.483 . . . . 71.53 110.466 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -139.05 147.22 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 C-N-CA 124.079 0.952 . . . . 74.34 109.818 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' B' ' 164' ' ' GLU . 14.6 m-85 -110.6 108.47 18.42 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.446 -1.316 . . . . 53.21 107.446 165.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.75 114.83 42.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 108.569 -0.9 . . . . 63.13 108.569 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -87.74 99.69 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.82 -1.082 . . . . 70.2 108.888 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -93.07 116.31 28.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.14 -0.936 . . . . 73.02 108.512 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.68 141.2 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.748 0.819 . . . . 71.33 110.897 -171.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -133.73 85.0 2.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.068 0.947 . . . . 70.55 109.217 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' HA ' ' O ' ' B' ' 107' ' ' THR . 30.8 t-105 -92.14 106.17 18.24 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.642 -0.873 . . . . 73.11 108.642 172.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -162.24 154.89 19.7 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 115.042 -0.981 . . . . 62.24 110.362 -170.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 92.4 m -74.97 138.2 42.12 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.744 1.218 . . . . 64.35 111.471 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mm -109.07 112.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 108.866 -0.79 . . . . 73.31 108.866 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.477 HG22 ' CD1' ' B' ' 104' ' ' PHE . 28.5 p -84.09 115.9 22.61 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.597 -0.52 . . . . 72.44 109.597 173.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 154.81 42.58 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 120.733 0.302 . . . . 75.52 110.836 176.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 136.84 35.51 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.09 0.956 . . . . 71.04 109.127 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.57 162.45 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 122.919 0.488 . . . . 64.34 110.306 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 7.8 mm-40 -100.47 138.18 20.11 Favored Pre-proline 0 C--N 1.346 0.442 0 C-N-CA 123.968 0.907 . . . . 73.44 109.822 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 39.5 Cg_endo -65.16 -33.4 49.8 Favored 'Trans proline' 0 C--N 1.366 1.482 0 C-N-CA 122.702 2.268 . . . . 53.21 112.476 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -91.76 -0.79 57.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.995 0.518 . . . . 75.32 111.739 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 4.0 t70 -90.96 165.07 13.75 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 108.937 -0.764 . . . . 53.1 108.937 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 10.6 p -83.42 161.26 21.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.158 0.583 . . . . 72.02 111.851 176.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.635 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 33.3 mm -62.36 -25.19 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.841 1.257 . . . . 73.01 110.499 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 5.9 tp10 -44.68 -40.16 5.69 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.479 1.512 . . . . 74.52 111.234 168.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.3 t-20 -53.27 -59.5 4.49 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.743 0.817 . . . . 74.31 110.264 173.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.2 t -58.34 -52.81 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.267 0.979 . . . . 62.23 110.575 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -67.91 -30.85 70.27 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.412 -0.813 . . . . 60.12 112.013 -175.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.32 -34.35 65.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.325 0.25 . . . . 75.2 111.173 176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 10.7 mmpt? -72.91 -39.52 66.25 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.533 0.333 . . . . 73.1 111.052 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 36' ' ' ILE . 17.1 pt -74.68 -29.09 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 CA-C-N 117.56 0.164 . . . . 73.54 110.58 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.69 -34.94 74.63 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 120.763 0.316 . . . . 74.42 110.94 170.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.42 -49.39 55.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.429 0.692 . . . . 52.44 110.738 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -87.74 -58.81 2.44 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 115.177 -0.919 . . . . 72.13 111.888 -174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -87.92 -14.05 40.3 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 122.257 -0.277 . . . . 60.35 111.403 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.66 33.92 45.59 Favored Glycine 0 C--N 1.351 1.383 0 O-C-N 123.166 0.291 . . . . 61.14 113.519 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.6 HD12 ' HB ' ' A' ' 30' ' ' ILE . 51.2 mt -88.04 123.95 67.79 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.464 0.706 . . . . 71.13 110.244 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HB2' ' HG2' ' A' ' 40' ' ' GLN . 2.0 Cg_endo -80.81 105.12 1.64 Allowed 'Trans proline' 0 CA--C 1.561 1.826 0 C-N-CA 122.672 2.248 . . . . 73.21 111.212 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 43.1 Cg_endo -64.0 -27.46 66.15 Favored 'Trans proline' 0 C--N 1.384 2.402 0 C-N-CA 123.53 2.82 . . . . 70.22 113.496 -170.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.29 -43.39 61.63 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.802 1.241 . . . . 74.02 111.469 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 5.3 pt20 -112.22 26.36 10.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.689 0.796 . . . . 73.0 110.241 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.46 118.12 22.53 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.162 0.985 . . . . 61.53 110.304 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.9 97.74 8.83 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.28 1.432 . . . . 71.22 109.457 175.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.85 114.22 18.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.216 -1.401 . . . . 70.32 107.216 170.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.54 HG12 ' HG2' ' A' ' 49' ' ' GLN . 37.9 mt -124.24 139.61 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 118.962 0.801 . . . . 72.41 110.87 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 61' ' ' ILE . 1.1 t80 -126.97 101.67 6.66 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 125.435 1.494 . . . . 73.2 108.097 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.56 32.97 21.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.797 0.686 . . . . 44.22 112.254 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.49 6.94 58.32 Favored Glycine 0 C--N 1.346 1.109 0 N-CA-C 115.068 0.787 . . . . 42.23 115.068 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -114.71 113.07 23.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.163 0.585 . . . . 73.2 109.789 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.54 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.5 mt-30 -73.34 110.35 7.56 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 108.765 -0.828 . . . . 65.53 108.765 174.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.8 101.52 2.62 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.657 0.783 . . . . 72.32 110.449 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.52 128.21 33.66 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 107.804 -1.184 . . . . 72.0 107.804 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.635 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.0 p-10 -56.66 -28.6 61.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.603 1.561 . . . . 73.12 114.368 -164.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.89 -18.38 74.29 Favored Glycine 0 CA--C 1.525 0.675 0 CA-C-N 115.797 -0.638 . . . . 75.42 114.161 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.79 174.72 9.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 117.497 0.648 . . . . 61.42 110.028 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 16.4 m -97.36 160.12 14.52 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.03 0.932 . . . . 74.11 109.631 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.53 -51.64 66.6 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.283 0.563 . . . . 44.23 110.256 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.67 -22.75 67.05 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.21 0.604 . . . . 75.43 112.083 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' THR . 22.4 t70 -56.51 -33.89 66.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.869 0.868 . . . . 61.33 111.173 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -99.74 -3.2 33.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.124 0.569 . . . . 71.35 111.637 178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 t30 58.16 63.62 1.71 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.723 0.773 . . . . 72.34 109.503 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 45' ' ' PHE . 2.5 mm -77.17 108.62 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.13 -0.941 . . . . 74.55 108.73 177.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -84.92 -173.67 4.85 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.026 -0.534 . . . . 75.2 110.228 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.558 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 4.6 ttmp? -81.66 148.2 29.15 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 122.855 0.462 . . . . 75.42 109.82 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 39.9 mt-10 58.68 27.7 16.21 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.026 1.331 . . . . 72.52 112.724 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB2' HG22 ' B' ' 103' ' ' ILE . 53.9 m -62.43 115.13 3.96 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 123.23 0.612 . . . . 55.03 110.396 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.38 9.23 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.994 0.426 . . . . 71.43 110.245 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.623 HD23 HG22 ' B' ' 105' ' ' VAL . 0.3 OUTLIER -89.29 157.99 18.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.522 0.729 . . . . 73.1 109.673 178.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.3 tt -125.06 129.84 73.26 Favored 'Isoleucine or valine' 0 C--O 1.245 0.828 0 CA-C-O 121.237 0.541 . . . . 63.35 110.081 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD12 ' HB ' ' B' ' 107' ' ' THR . 95.9 mt -100.05 105.61 17.28 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 115.148 -0.933 . . . . 73.14 109.989 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 90.0 mt -97.66 113.83 25.66 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 108.473 -0.936 . . . . 73.25 108.473 173.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.9 tp -74.75 168.01 20.7 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 118.789 0.722 . . . . 72.33 109.418 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 40' ' ' GLN . 1.1 m -29.9 113.38 0.09 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.965 2.106 . . . . 75.22 115.075 -169.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' C' ' 760' ' ' ALA . 2.3 tm? -160.66 -77.74 0.06 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.607 0.763 . . . . 71.54 108.984 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 123.667 0.787 . . . . 75.43 108.919 177.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.634 -0.586 . . . . 73.14 111.634 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.41 163.02 30.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.102 0.561 . . . . 75.45 110.203 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.424 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 30.8 mm-40 -95.5 153.21 17.81 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.76 -1.2 . . . . 44.41 107.76 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 65' ' ' SER . 27.0 pt -144.13 147.46 19.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 C-N-CA 123.02 0.528 . . . . 71.12 110.091 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.477 ' CD1' HG22 ' A' ' 14' ' ' THR . 12.5 m-30 -106.43 100.45 9.97 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.154 -1.054 . . . . 61.13 108.154 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 67' ' ' LEU . 47.9 t -101.6 103.18 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 108.347 -0.983 . . . . 75.01 108.347 -176.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 6.3 t0 -83.59 124.45 30.8 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.99 -0.745 . . . . 74.11 108.99 -172.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.544 ' HB ' HD12 ' A' ' 69' ' ' LEU . 10.2 t -122.71 144.27 49.26 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.762 0.825 . . . . 73.33 110.759 -172.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.44 109.27 27.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 108.855 -0.795 . . . . 73.11 108.855 162.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 87.46 4.39 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.037 -1.468 . . . . 72.12 107.037 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -98.16 142.14 30.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.171 0.988 . . . . 63.34 109.834 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.88 149.69 16.53 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.091 -0.959 . . . . 72.22 109.68 167.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 34.1 m -102.99 126.97 50.39 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.391 0.676 . . . . 73.44 109.536 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 mm -106.15 137.01 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 107.618 -1.253 . . . . 71.43 107.618 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.7 m -111.65 124.1 51.61 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.884 -0.414 . . . . 74.03 109.884 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 169.24 17.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.01 0.524 . . . . 73.52 110.594 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -112.93 144.21 42.9 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.6 -0.889 . . . . 75.51 108.6 170.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.424 HG22 ' H ' ' B' ' 118' ' ' GLU . 5.2 p -141.68 -178.11 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 N-CA-C 108.915 -0.772 . . . . 71.24 108.915 174.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.424 ' H ' HG22 ' B' ' 117' ' ' VAL . 41.2 mt-10 -128.43 149.74 72.42 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 108.84 -0.8 . . . . 73.2 108.84 176.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 -34.81 98.61 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 123.061 2.508 . . . . 50.12 112.481 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 18.5 m -78.24 -9.23 59.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.198 -0.91 . . . . 74.11 111.939 -175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.62 170.86 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.303 0.573 . . . . 73.35 110.687 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.3 p -110.36 155.79 21.65 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 114.92 -1.036 . . . . 73.2 111.258 176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.78 -23.88 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 113.986 -1.461 . . . . 72.44 111.575 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 12.3 pt-20 -54.11 -35.17 61.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.567 0.747 . . . . 61.42 111.201 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -66.24 -47.57 73.35 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.659 0.784 . . . . 74.44 110.71 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.92 -46.98 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.394 0.678 . . . . 74.23 110.422 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' B' ' 138' ' ' PRO . 55.8 pttt -68.39 -36.67 79.48 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 115.812 -0.631 . . . . 75.13 111.04 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.14 79.88 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.667 0.387 . . . . 61.22 110.764 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.64 -37.06 60.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.331 0.652 . . . . 65.53 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 pt -68.59 -34.72 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.602 0.637 . . . . 70.31 109.583 173.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.3 -40.21 89.85 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.761 0.424 . . . . 74.34 111.163 172.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.5 -51.35 52.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 71.31 111.371 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -89.64 -53.93 4.3 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 114.968 -1.015 . . . . 74.5 110.829 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -90.5 -8.97 49.0 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.194 -169.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.65 28.8 73.53 Favored Glycine 0 C--N 1.354 1.546 0 O-C-N 123.322 0.389 . . . . 61.33 113.256 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' B' ' 141' ' ' GLN . 73.4 mt -85.56 127.1 64.54 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 124.052 0.941 . . . . 73.32 110.833 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -66.49 107.4 1.21 Allowed 'Trans proline' 0 CA--C 1.56 1.812 0 C-N-CA 122.521 2.147 . . . . 63.23 110.9 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' B' ' 127' ' ' LYS . 44.9 Cg_endo -63.36 -39.28 38.21 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.501 2.8 . . . . 71.54 114.444 -165.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.04 -29.46 28.83 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.422 0.689 . . . . 71.53 110.962 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -20.12 57.19 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.408 1.083 . . . . 65.01 110.503 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' B' ' 171' ' ' LEU . 15.2 mm-40 -117.81 98.59 6.43 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.951 -0.759 . . . . 70.42 108.951 175.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' B' ' 173' ' ' LEU . 3.9 mpt_? -77.59 104.9 8.39 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.128 -0.693 . . . . 74.31 109.128 -179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.04 126.5 28.81 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 114.874 -1.057 . . . . 72.33 108.892 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . 0.748 ' HA ' ' HA ' ' B' ' 149' ' ' GLN . 25.3 t70 -113.39 151.43 31.31 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.87 1.268 . . . . 63.1 110.847 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.486 ' HB2' HD21 ' B' ' 150' ' ' LEU . 10.3 t80 -142.26 107.31 4.94 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.98 0.912 . . . . 75.12 109.341 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 61.92 24.52 14.61 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.295 1.038 . . . . 71.44 112.803 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.33 5.91 60.24 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 120.187 -0.229 . . . . 60.14 113.569 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -129.65 117.81 20.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.397 -0.964 . . . . 74.44 108.397 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.748 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 0.0 OUTLIER -71.29 152.7 43.01 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.813 0.339 . . . . 71.2 110.842 -178.1 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.692 HD21 HD23 ' B' ' 167' ' ' LEU . 1.6 mm? -86.37 109.74 19.22 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.415 -0.958 . . . . 74.01 108.415 178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.639 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 4.8 tt0 -56.18 132.29 50.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.881 -0.785 . . . . 64.21 108.881 170.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -60.99 -31.31 70.92 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.167 0.987 . . . . 65.05 112.731 -168.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -102.06 12.33 57.4 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 116.313 -0.403 . . . . 33.31 113.394 -178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.639 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 7.2 tpt180 -85.54 175.1 8.99 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.083 0.553 . . . . 64.22 110.305 -173.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 20.7 m -102.18 152.29 21.19 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.535 0.734 . . . . 62.25 110.042 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.402 HD13 HD12 ' B' ' 161' ' ' ILE . 4.3 mm? -64.65 -42.02 95.72 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.091 0.556 . . . . 51.04 110.714 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -68.34 -24.88 64.87 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.346 -0.843 . . . . 63.13 111.735 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.57 -30.81 67.45 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.267 0.627 . . . . 75.03 111.132 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.542 ' HB2' HG13 ' B' ' 161' ' ' ILE . 89.2 m-85 -100.52 -7.25 24.35 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.05 0.54 . . . . 71.01 110.441 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 5.2 t30 49.82 58.94 4.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.966 1.307 . . . . 71.11 110.121 -168.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.542 HG13 ' HB2' ' B' ' 159' ' ' TYR . 9.2 mt -71.71 120.49 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 114.604 -1.18 . . . . 62.33 110.031 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -100.2 162.15 13.15 Favored 'General case' 0 C--O 1.262 1.76 0 CA-C-N 115.49 -0.777 . . . . 71.1 109.737 178.339 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 13.1 ptmm? -53.52 138.28 34.31 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.547 -1.206 . . . . 74.42 110.394 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 pt-20 70.8 16.2 6.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.701 1.601 . . . . 74.33 112.73 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.43 ' HB3' HE21 ' B' ' 162' ' ' GLN . 37.5 p -51.18 125.84 15.05 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 123.351 0.407 . . . . 53.2 110.649 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -100.03 108.95 21.26 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.698 0.399 . . . . 52.04 110.003 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.692 HD23 HD21 ' B' ' 150' ' ' LEU . 1.0 OUTLIER -115.8 149.96 37.71 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.324 -1.361 . . . . 74.04 107.324 -177.56 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.86 140.33 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 119.719 1.145 . . . . 62.12 110.805 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.4 HD21 HG21 ' B' ' 136' ' ' ILE . 9.3 mp -70.51 132.74 45.98 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.536 0.335 . . . . 51.43 110.451 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.7 mp -108.68 147.65 31.59 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 107.988 -1.116 . . . . 62.03 107.988 165.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.495 ' HA ' ' OE1' ' B' ' 141' ' ' GLN . 7.6 mp -70.21 155.39 40.71 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 118.636 -0.697 . . . . 73.13 109.414 172.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 9.0 t -37.14 90.91 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 122.685 1.231 . . . . 63.21 114.279 -176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.504 ' H ' ' HD3' ' B' ' 142' ' ' ARG . 60.0 tp -153.77 127.16 8.57 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 113.844 -1.525 . . . . 62.13 108.603 175.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 CA--C 1.558 1.251 0 C-N-CA 124.081 0.953 . . . . 72.21 108.698 179.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 CA-C-O 120.008 -0.329 . . . . 72.0 112.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 31.4 p -162.58 104.96 1.08 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.769 0.828 . . . . 72.32 109.864 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.26 130.92 37.84 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.826 0.85 . . . . 74.44 109.265 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 39.4 m -79.74 -35.01 39.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.139 0.575 . . . . 71.45 109.907 177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.7 95.25 0.05 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.175 1.39 . . . . 64.22 110.23 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 48.3 t -84.51 172.23 11.84 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.429 -0.805 . . . . 70.04 110.686 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 114.1 62.29 0.41 Allowed Glycine 0 C--N 1.341 0.809 0 N-CA-C 110.177 -1.169 . . . . 53.42 110.177 -171.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 82.5 mmm -122.91 -74.6 0.61 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.683 0.793 . . . . 75.03 110.676 -175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -92.5 -17.99 23.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.572 0.749 . . . . 71.02 112.377 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 40.8 m 68.68 9.99 7.64 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.189 1.396 . . . . 73.31 113.342 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . 0.445 ' HG2' ' HE3' ' C' ' 747' ' ' LYS . 5.9 tt0 -148.39 -54.65 0.2 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.945 0.498 . . . . 74.31 109.889 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.19 65.2 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 115.329 -0.85 . . . . 72.23 110.764 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.44 -50.1 74.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.893 1.277 . . . . 73.31 110.527 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -62.26 -58.58 7.22 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 115.325 -0.852 . . . . 75.05 110.677 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.445 ' HE3' ' HG2' ' C' ' 743' ' ' GLN . 15.1 ptpt -63.81 -39.85 95.22 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 114.584 -1.189 . . . . 75.24 111.753 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.9 -49.5 73.23 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 123.765 0.665 . . . . 74.12 110.876 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -74.4 -21.62 59.55 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 123.79 0.681 . . . . 75.51 111.486 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.01 -49.27 73.08 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.785 -0.82 . . . . 71.23 108.785 167.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 43.4 mt -66.38 -33.8 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.89 0.744 . . . . 73.41 111.3 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.27 -36.44 71.72 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.324 -0.991 . . . . 74.31 108.324 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -49.54 65.62 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.551 0.741 . . . . 73.43 110.132 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 28.3 m-85 -55.83 -39.64 71.7 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.551 0.74 . . . . 70.31 109.973 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.485 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 4.9 t-105 -67.33 -40.64 85.93 Favored 'General case' 0 C--O 1.197 -1.693 0 CA-C-N 114.164 -1.38 . . . . 75.24 110.202 177.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 42.3 m -64.73 -35.36 80.81 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.838 0.744 . . . . 60.02 110.555 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.482 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 37.5 m-85 -61.39 -61.86 2.24 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 122.916 0.486 . . . . 75.33 110.144 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.563 HD11 HD11 ' C' ' 777' ' ' LEU . 50.3 mt -62.74 -37.23 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.922 0.764 . . . . 72.02 111.154 -176.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' C' ' 817' ' ' LEU . 8.0 tt0 -68.37 -54.84 14.57 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 123.093 0.557 . . . . 72.2 109.816 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -73.01 -27.31 61.71 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.484 -0.78 . . . . 74.34 112.305 -172.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.1 ptm -70.34 -50.36 39.9 Favored 'General case' 0 C--O 1.211 -0.932 0 N-CA-C 108.42 -0.956 . . . . 74.43 108.42 170.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' C' ' 816' ' ' ARG . 15.1 mt -68.39 -13.11 62.06 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.349 0.66 . . . . 74.14 112.749 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.403 ' HA ' ' HE2' ' C' ' 819' ' ' LYS . 22.9 m -73.11 -22.93 60.46 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.67 0.788 . . . . 63.31 110.659 173.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -107.88 -68.02 0.93 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.24 -0.652 . . . . 64.44 109.24 173.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.551 HD12 HD23 ' C' ' 768' ' ' LEU . 0.4 OUTLIER -86.66 68.86 10.27 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.313 1.054 . . . . 74.41 108.892 -177.088 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.565 ' HB2' ' HG3' ' C' ' 816' ' ' ARG . 12.6 pt-20 -74.56 78.13 1.97 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.053 -1.431 . . . . 74.44 111.245 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 18.6 m 157.52 117.76 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 128.4 2.68 . . . . 71.22 108.464 168.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.551 HD23 HD12 ' C' ' 765' ' ' LEU . 1.0 OUTLIER -162.93 159.42 23.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.014 0.925 . . . . 72.42 109.989 176.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . 0.454 ' OG ' ' HG3' ' C' ' 772' ' ' ARG . 78.9 p -80.97 156.68 25.83 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 120.969 0.414 . . . . 50.44 110.034 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' C' ' 799' ' ' LEU . 7.2 tp -58.46 -33.39 69.69 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.707 -1.133 . . . . 72.22 110.941 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.28 -41.45 88.94 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.318 1.047 . . . . 74.13 111.351 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.454 ' HG3' ' OG ' ' C' ' 769' ' ' SER . 61.2 mtp180 -62.52 -59.64 4.66 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.283 -0.872 . . . . 72.42 110.551 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.74 -21.62 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 115.676 -0.693 . . . . 72.34 111.832 -177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.57 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 53.6 t80 -60.66 -54.38 46.0 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 108.817 -0.808 . . . . 62.23 108.817 169.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.5 -36.0 77.29 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 123.778 0.674 . . . . 72.11 111.547 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -60.41 -60.7 3.39 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.413 0.446 . . . . 72.3 110.189 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.563 HD11 HD11 ' C' ' 758' ' ' ILE . 8.4 mt -52.74 -34.23 51.76 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.656 0.783 . . . . 73.2 112.154 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.588 ' HA ' HG12 ' C' ' 781' ' ' VAL . 0.0 OUTLIER -65.18 -47.34 77.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.448 0.699 . . . . 75.11 111.238 177.806 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.7 tpt -50.96 -49.37 60.16 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 124.157 0.911 . . . . 64.25 110.368 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -74.88 -26.5 59.71 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 113.043 0.757 . . . . 74.01 113.043 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.5 p -89.68 -17.29 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 C-N-CA 122.699 0.4 . . . . 72.55 111.338 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 -35.78 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 122.281 -0.262 . . . . 74.15 110.405 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.1 p -65.53 -27.16 68.26 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 111.859 0.318 . . . . 54.42 111.859 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.94 174.46 15.56 Favored Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.541 -1.024 . . . . 64.34 110.541 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.93 -33.46 15.89 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 121.954 1.77 . . . . 75.32 110.891 168.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' C' ' 781' ' ' VAL . . . 40.14 -87.23 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.502 1.921 . . . . 64.05 113.963 -171.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 751' ' ' LEU . 5.5 mp -129.07 37.3 4.08 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.657 0.783 . . . . 44.35 109.655 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 58.65 36.3 24.94 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 124.266 1.026 . . . . 43.03 111.239 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 74.65 124.72 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.197 1.799 . . . . 70.25 110.832 -169.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.419 HG12 HG11 ' C' ' 781' ' ' VAL . 8.2 pt -81.42 172.32 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.21 1.004 . . . . 74.44 109.948 171.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -129.12 175.7 8.49 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.386 0.674 . . . . 73.22 110.099 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.08 -44.93 94.4 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.136 0.974 . . . . 74.22 111.792 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -62.83 -32.72 73.98 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.921 0.391 . . . . 61.34 110.445 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.26 -37.98 51.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.133 -0.94 . . . . 74.2 109.758 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.57 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.0 OUTLIER -70.37 -62.22 1.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.64 1.176 . . . . 74.5 109.103 -179.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -54.17 -46.38 72.32 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.995 0.918 . . . . 64.5 110.695 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.47 -43.15 77.18 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 123.984 0.803 . . . . 70.31 113.153 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 21.8 t80 -58.27 -55.2 38.09 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.318 1.047 . . . . 74.01 110.711 176.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.5 mm? -63.51 -49.65 72.73 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.789 -1.096 . . . . 73.05 111.885 -175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.13 -30.49 71.42 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.677 0.611 . . . . 74.31 110.041 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -55.58 31.68 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 108.623 -0.88 . . . . 73.32 108.623 171.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -53.31 -38.82 63.51 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.927 0.767 . . . . 73.02 112.583 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 799' ' ' LEU . 50.0 t -65.77 -47.53 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 109.776 -0.453 . . . . 72.12 109.776 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -79.21 -5.21 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.491 0.716 . . . . 74.31 112.381 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -91.56 1.46 57.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.716 1.206 . . . . 73.5 110.876 174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.44 12.1 7.07 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.618 1.567 . . . . 54.22 112.015 -173.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.77 -32.39 25.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.893 0.877 . . . . 64.41 110.718 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' C' ' 815' ' ' TYR . 60.8 tp -134.95 143.01 46.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.899 1.28 . . . . 75.14 109.009 -168.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . 0.481 HG22 ' O ' ' C' ' 816' ' ' ARG . 10.8 m -105.61 152.01 7.56 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 43.31 110.064 173.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.0 110.08 15.83 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.683 1.193 . . . . 62.31 108.18 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 20.8 t -85.63 -148.71 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.819 -1.178 . . . . 64.52 107.819 175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.58 76.04 1.08 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.948 0.794 . . . . 41.31 111.097 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.28 14.74 81.89 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.698 -0.683 . . . . 75.24 113.348 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.92 153.38 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.049 0.539 . . . . 74.1 110.283 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . 0.532 ' HB3' HD11 ' C' ' 808' ' ' LEU . 46.9 m-85 -102.71 142.77 33.31 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.27 0.628 . . . . 72.43 110.943 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.565 ' HG3' ' HB2' ' C' ' 766' ' ' GLU . 50.8 ttt180 -145.68 136.7 24.64 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.102 1.361 . . . . 64.03 109.068 176.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' C' ' 759' ' ' GLN . 24.3 mt -87.84 128.61 53.55 Favored Pre-proline 0 N--CA 1.475 0.806 0 O-C-N 122.049 -0.407 . . . . 64.4 110.872 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . 0.431 ' HB2' ' O ' ' C' ' 820' ' ' ASN . 76.6 Cg_endo -82.15 138.17 9.95 Favored 'Trans proline' 0 C--N 1.369 1.631 0 C-N-CA 122.72 2.28 . . . . 71.15 110.634 167.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' C' ' 763' ' ' THR . 30.2 mmtp -75.93 -20.64 57.8 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.162 0.506 . . . . 62.4 110.664 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' C' ' 818' ' ' PRO . 2.7 p-10 -108.66 119.22 38.88 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 106.655 -1.609 . . . . 72.21 106.655 159.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 81.4 m -72.15 80.7 0.97 Allowed 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 121.303 0.573 . . . . 72.13 111.438 -173.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.288 1.435 . . . . 70.32 107.498 -179.177 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.731 -0.548 . . . . 51.22 111.731 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.87 -177.95 6.6 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.064 0.945 . . . . 73.12 110.268 -175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.452 ' HB3' ' HG2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -135.53 134.33 39.33 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.142 -1.058 . . . . 72.02 108.142 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.74 156.74 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 N-CA-C 109.27 -0.641 . . . . 62.24 109.27 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' HB3' HG23 ' B' ' 112' ' ' THR . 21.8 m-85 -95.96 128.37 42.79 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 61.54 109.158 170.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.594 HG23 ' HB ' ' B' ' 113' ' ' ILE . 3.0 m -110.28 106.38 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 108.537 -0.912 . . . . 71.34 108.537 172.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 168' ' ' ILE . 14.3 m-20 -78.59 99.88 6.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.161 1.384 . . . . 75.34 109.663 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.688 HG22 HD22 ' B' ' 169' ' ' LEU . 40.7 p -87.71 102.46 14.66 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.522 -0.918 . . . . 74.2 108.522 174.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.9 119.03 48.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 122.088 0.946 . . . . 70.32 109.247 173.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.713 ' HB3' ' HG3' ' B' ' 109' ' ' GLN . 28.8 tt0 -95.02 97.27 9.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.4 -1.273 . . . . 74.23 108.092 175.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.474 ' HH2' HD11 ' A' ' 68' ' ' ILE . 5.4 t-105 -118.12 98.16 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 106.494 -1.669 . . . . 73.11 106.494 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -164.55 156.28 15.85 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.861 1.06 . . . . 74.33 113.861 -172.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 27.4 m -76.79 130.01 37.07 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.452 1.101 . . . . 74.23 110.877 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mm -113.05 111.93 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.667 -0.864 . . . . 75.11 108.667 176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.7 m -83.76 119.5 24.89 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 108.676 -0.861 . . . . 74.12 108.676 174.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD11 HG23 ' B' ' 105' ' ' VAL . 0.0 OUTLIER -144.23 153.45 42.08 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 122.521 0.329 . . . . 74.43 111.204 179.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 2.0 tm-20 -84.09 143.23 29.85 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.006 0.922 . . . . 73.41 108.699 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -150.99 155.31 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.199 0.6 . . . . 61.34 109.628 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.69 147.18 35.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 123.474 0.709 . . . . 74.15 110.184 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.63 -34.21 64.17 Favored 'Trans proline' 0 C--N 1.368 1.558 0 C-N-CA 122.691 2.261 . . . . 63.23 112.223 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 m -77.3 -12.39 59.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.724 0.81 . . . . 73.52 112.126 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.99 151.38 45.64 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 109.759 -0.46 . . . . 72.11 109.759 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -82.56 160.25 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.598 -0.728 . . . . 74.1 110.465 166.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.531 HD13 HD22 ' A' ' 56' ' ' LEU . 23.5 mm -66.28 -26.53 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.638 0.775 . . . . 72.15 110.098 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -21.16 64.85 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.537 0.735 . . . . 72.13 111.299 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 63.0 m-80 -61.96 -60.82 3.06 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.874 0.734 . . . . 72.44 109.223 170.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -56.84 -36.0 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 123.813 0.845 . . . . 72.21 111.256 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 38' ' ' PRO . 36.2 ttpt -57.14 -53.41 58.39 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.742 1.217 . . . . 74.35 111.215 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -24.53 63.3 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.432 -0.803 . . . . 41.23 112.017 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 4.0 mptp? -70.02 -54.39 13.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.858 0.863 . . . . 73.01 109.648 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 36' ' ' ILE . 2.7 pp -65.63 -29.59 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 117.902 0.319 . . . . 63.45 110.872 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 9.0 tt0 -67.65 -35.28 78.6 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 115.815 -0.629 . . . . 61.43 110.615 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -69.22 -44.23 72.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.274 0.63 . . . . 71.24 110.472 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 73.1 mmtt -81.08 -71.36 0.47 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 114.995 -1.002 . . . . 52.53 111.138 -172.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.3 -25.17 36.7 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.505 0.722 . . . . 75.53 111.765 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.03 23.08 56.33 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 121.77 -0.252 . . . . 63.33 113.482 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 69' ' ' LEU . 43.1 mt -73.36 125.13 90.98 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.562 0.745 . . . . 64.05 109.664 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -62.19 135.25 53.38 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 123.244 2.63 . . . . 63.53 112.329 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 6.2 Cg_endo -49.08 -44.33 33.33 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 124.367 3.378 . . . . 72.5 113.901 176.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.74 -26.91 62.66 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.251 -0.886 . . . . 65.03 112.331 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -102.65 26.37 8.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.215 0.606 . . . . 74.22 112.457 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.629 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 4.2 pt20 -131.54 163.47 27.94 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.593 0.711 . . . . 75.02 111.724 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 37.2 mtp85 -140.82 100.33 3.81 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 107.147 -1.427 . . . . 62.03 107.147 178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 43' ' ' LEU . 2.6 mp -85.05 134.66 34.2 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 108.662 -0.866 . . . . 74.33 108.662 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' HG2' ' A' ' 49' ' ' GLN . 49.4 mt -134.94 138.8 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 121.065 0.459 . . . . 74.32 109.79 177.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.79 101.73 5.2 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.504 -0.924 . . . . 75.11 108.504 -171.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.59 40.67 31.73 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.1 0.875 . . . . 60.32 110.855 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.11 -2.27 78.76 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.067 -0.969 . . . . 73.44 115.499 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -97.96 120.03 37.63 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.239 1.019 . . . . 64.32 110.478 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 44' ' ' ILE . 46.6 mt-30 -81.65 115.59 20.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 71.14 108.111 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 45' ' ' PHE . 34.9 mt -87.01 126.61 34.85 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 123.967 0.792 . . . . 61.5 111.781 -164.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -76.48 127.19 32.35 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 107.664 -1.235 . . . . 63.42 107.664 164.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 12.1 p-10 -61.95 -28.27 69.42 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.139 0.576 . . . . 73.34 111.37 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.91 -1.3 78.39 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-N 115.83 -0.623 . . . . 71.42 114.577 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.74 177.67 6.02 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.694 0.747 . . . . 75.42 109.876 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 27.4 m -106.69 157.34 17.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.592 0.757 . . . . 75.22 109.639 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 61' ' ' ILE . 2.6 mm? -59.6 -53.01 63.05 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 109.035 -0.728 . . . . 72.34 109.035 173.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 t -61.6 -22.24 65.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.628 0.771 . . . . 70.1 112.402 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.93 -33.48 71.95 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.599 0.759 . . . . 72.32 111.118 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -99.18 -2.92 35.6 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.674 -0.693 . . . . 71.35 111.218 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 60.3 65.58 1.06 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.964 0.906 . . . . 64.15 110.82 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.4 mm -77.64 107.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 114.988 -1.006 . . . . 71.13 109.577 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HG3' ' OG ' ' A' ' 65' ' ' SER . 10.4 pt20 -85.97 -176.14 5.86 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.187 -0.915 . . . . 73.13 109.19 172.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 20.5 ttpp -92.5 155.24 17.95 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.159 0.584 . . . . 74.3 110.958 -177.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 56.13 41.47 29.45 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.744 1.217 . . . . 73.5 111.282 -173.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' OG ' ' HG3' ' A' ' 62' ' ' GLN . 43.4 m -99.72 129.72 45.87 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.178 0.591 . . . . 63.41 111.279 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.16 102.3 13.17 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.501 0.667 . . . . 41.14 110.861 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' B' ' 105' ' ' VAL . 3.6 tt -87.94 126.53 35.11 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 106.641 -1.614 . . . . 72.5 106.641 171.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 106' ' ' ASP . 9.8 tp -97.43 126.93 50.17 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 108.786 -0.82 . . . . 73.4 108.786 172.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD21 HD12 ' A' ' 36' ' ' ILE . 57.1 tp -98.5 105.17 17.28 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.439 -0.948 . . . . 71.22 108.439 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' C' ' 760' ' ' ALA . 74.6 mt -96.71 162.94 13.22 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.513 -0.921 . . . . 63.25 108.513 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 41' ' ' GLN . 1.7 pt? -116.38 174.81 5.86 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 108.861 -0.792 . . . . 63.41 108.861 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.03 114.31 1.4 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 122.921 0.488 . . . . 64.53 111.849 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' C' ' 763' ' ' THR . 4.0 pp -75.4 -19.41 59.53 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.0 -1.0 . . . . 63.41 110.912 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 . . . . . 0 C--O 1.249 1.029 0 C-N-CA 125.01 1.324 . . . . 75.51 108.392 179.558 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.67 -0.572 . . . . 62.22 111.67 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -144.13 149.67 36.89 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.81 0.844 . . . . 63.34 109.532 179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.622 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 10.7 mp0 -108.93 125.0 51.56 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.418 -1.327 . . . . 71.13 107.418 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 39.6 pt -118.23 166.67 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.347 0.659 . . . . 73.53 110.887 -173.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.435 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 12.4 m-85 -113.42 101.53 9.46 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.756 0.822 . . . . 74.51 108.968 -176.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.498 HG23 HD11 ' A' ' 15' ' ' LEU . 57.3 t -96.7 105.19 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 108.908 -0.775 . . . . 70.22 108.908 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 68' ' ' ILE . 3.0 t70 -78.44 103.06 8.14 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 108.119 -1.067 . . . . 72.51 108.119 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.7 t -91.73 145.23 24.75 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 114.631 -1.168 . . . . 62.5 112.164 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.419 HG22 ' CE3' ' A' ' 10' ' ' TRP . 36.4 t -120.05 120.11 62.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 125.374 1.671 . . . . 74.25 109.508 175.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.713 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -142.9 150.19 39.46 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 108.899 -0.778 . . . . 75.32 108.899 160.52 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . 0.502 ' HB2' HD21 ' C' ' 764' ' ' ASN . 10.8 t-105 -126.43 135.19 51.08 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 107.301 -1.37 . . . . 63.24 107.301 175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.44 ' HB2' HE22 ' B' ' 109' ' ' GLN . 87.1 tttt -139.81 125.29 19.13 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.732 0.645 . . . . 74.0 109.414 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 4' ' ' PHE . 57.9 m -94.46 116.36 28.71 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.261 0.625 . . . . 74.14 109.406 174.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 5' ' ' VAL . 14.0 mt -101.72 163.09 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 61.22 108.565 175.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 18.3 p -122.82 132.23 54.11 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.067 0.947 . . . . 72.42 109.661 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.436 HD12 ' HD3' ' B' ' 129' ' ' LYS . 2.5 pt? -133.34 164.99 25.88 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.591 -0.892 . . . . 74.51 108.591 171.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.452 ' HG2' ' HB3' ' A' ' 2' ' ' GLN . 33.2 mt-10 -114.9 151.47 33.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.33 1.052 . . . . 72.24 109.032 169.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.6 p -156.46 171.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.43 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -109.91 151.25 42.3 Favored Pre-proline 0 N--CA 1.476 0.857 0 C-N-CA 123.39 0.676 . . . . 63.11 110.152 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.08 -35.83 32.13 Favored 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 122.549 2.166 . . . . 71.13 112.728 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.8 -8.61 59.71 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.499 0.32 . . . . 75.13 111.141 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.462 ' HB3' HD22 ' B' ' 125' ' ' ASN . 38.3 m-20 -72.33 158.94 34.86 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.193 0.597 . . . . 61.41 110.25 177.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.4 p -91.34 162.72 14.48 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.356 0.662 . . . . 75.31 111.073 172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.561 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 34.0 mm -70.71 -20.38 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.046 0 CA-C-N 114.874 -1.057 . . . . 53.0 109.958 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' B' ' 127' ' ' LYS . 13.5 pt-20 -62.17 -30.61 71.18 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.927 0.491 . . . . 71.41 110.72 176.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.462 HD22 ' HB3' ' B' ' 121' ' ' ASP . 55.1 m-20 -69.8 -41.05 75.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.303 0.641 . . . . 60.34 110.121 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.74 -51.87 67.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 123.67 0.788 . . . . 64.12 109.911 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' B' ' 138' ' ' PRO . 60.3 pttt -64.13 -39.09 93.28 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.894 -0.593 . . . . 72.33 110.698 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.48 93.91 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 116.078 -0.51 . . . . 53.31 111.383 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.436 ' HD3' HD12 ' B' ' 115' ' ' LEU . 16.1 ptmt -78.27 -34.88 48.69 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.361 0.413 . . . . 72.32 111.754 -173.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.549 ' HB ' HD12 ' B' ' 136' ' ' ILE . 23.3 pt -72.5 -30.16 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 110.072 -0.344 . . . . 74.21 110.072 174.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.55 -37.41 77.04 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.301 0.64 . . . . 64.01 110.903 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.73 -43.77 71.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.056 0.943 . . . . 71.31 111.477 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 -58.95 2.25 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.194 -0.912 . . . . 65.22 111.222 -174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.25 -15.17 26.14 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.522 0.329 . . . . 72.33 111.41 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.52 53.49 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.348 0.405 . . . . 64.31 112.557 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.549 HD12 ' HB ' ' B' ' 130' ' ' ILE . 97.3 mt -86.37 110.06 28.41 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.115 0.966 . . . . 64.31 109.532 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.97 118.9 4.54 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 C-N-CA 122.472 2.114 . . . . 72.43 109.81 173.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.582 ' HB3' ' HB2' ' B' ' 127' ' ' LYS . 18.7 Cg_endo -58.15 -36.3 97.99 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 123.631 2.887 . . . . 73.23 114.071 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.55 -29.07 62.21 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.414 -0.812 . . . . 73.31 110.022 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.74 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 0.0 OUTLIER -87.29 -22.7 24.99 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.361 0.665 . . . . 75.52 110.688 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -137.64 103.17 4.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.008 0.923 . . . . 70.13 108.985 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.515 HH11 ' N ' ' B' ' 173' ' ' LEU . 1.7 mpt_? -77.53 129.74 36.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 65.24 110.063 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.574 ' HB3' HD21 ' B' ' 167' ' ' LEU . 13.0 mt -85.61 125.67 33.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.889 -0.782 . . . . 75.34 108.889 -178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -129.91 144.0 51.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.668 0.787 . . . . 73.11 109.984 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' B' ' 150' ' ' LEU . 0.1 OUTLIER -127.05 102.86 7.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.967 -1.123 . . . . 74.33 107.967 177.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 49.29 36.3 9.2 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.785 1.234 . . . . 72.32 113.315 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.71 16.06 43.74 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.996 -0.547 . . . . 62.34 114.318 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -121.23 119.12 31.37 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.918 -0.771 . . . . 75.34 108.918 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.38 136.59 55.01 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.308 -0.627 . . . . 74.13 109.308 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' B' ' 145' ' ' PHE . 66.7 mt -94.48 104.31 16.27 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.061 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.1 130.61 43.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.092 -0.958 . . . . 61.34 108.602 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.561 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 6.7 p-10 -67.38 -25.82 66.15 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.637 0.256 . . . . 74.13 111.223 -173.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -84.28 6.19 77.23 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.773 -0.649 . . . . 71.21 113.871 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.16 167.54 11.14 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.06 -1.089 . . . . 75.24 108.06 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 15.5 p -104.31 166.84 10.14 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.039 0.447 . . . . 74.31 110.99 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 161' ' ' ILE . 3.2 mm? -69.85 -41.84 74.36 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.298 -0.865 . . . . 74.43 109.234 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 33.3 t -68.96 -24.33 64.24 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.852 -0.613 . . . . 62.04 111.437 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.21 -31.05 70.82 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.708 0.63 . . . . 74.4 110.54 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.527 ' HB2' HG13 ' B' ' 161' ' ' ILE . 95.2 m-85 -102.94 4.22 37.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.52 0.728 . . . . 74.23 111.203 178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 3.8 t30 60.42 28.24 17.87 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 124.054 0.941 . . . . 73.31 111.294 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 156' ' ' LEU . 99.4 mt -58.64 128.71 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.637 1.175 . . . . 73.02 110.997 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.02 174.5 9.95 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 122.117 0.961 . . . . 63.23 111.422 -172.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -59.53 141.26 55.22 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 114.358 -1.292 . . . . 75.11 110.177 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 55.45 23.39 5.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.121 2.169 . . . . 74.24 113.401 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 66.0 m -67.54 142.01 56.68 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 120.602 -0.439 . . . . 51.12 110.12 165.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -102.44 106.14 16.83 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.57 0.7 . . . . 75.33 110.74 -177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' B' ' 143' ' ' LEU . 4.8 tt -97.3 120.1 37.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.754 1.622 . . . . 74.53 107.261 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 17.9 pt -101.22 143.15 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.059 0.845 . . . . 64.01 110.164 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 7' ' ' THR . 11.2 mp -101.1 122.3 43.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.02 -0.991 . . . . 72.3 109.134 175.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.61 158.73 15.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.232 -1.025 . . . . 71.44 108.232 170.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.89 166.01 20.41 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 110.204 -0.295 . . . . 75.44 110.204 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.74 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 4.5 t -47.6 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 124.346 1.058 . . . . 35.12 113.509 -178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.515 ' N ' HH11 ' B' ' 142' ' ' ARG . 0.4 OUTLIER -170.25 111.25 0.41 Allowed 'General case' 0 C--N 1.348 0.504 0 N-CA-C 106.868 -1.53 . . . . 72.11 106.868 172.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.252 1.233 0 N-CA-C 108.103 -1.073 . . . . 72.31 108.103 176.029 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.768 -0.533 . . . . 44.32 111.768 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 53.2 p -112.38 5.58 18.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.923 0.889 . . . . 75.4 110.087 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.36 140.66 58.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.1 0.96 . . . . 74.41 111.243 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 41.0 m -136.1 -33.66 0.82 Allowed 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.062 0.945 . . . . 64.35 110.456 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 8.4 t0 68.47 125.83 0.03 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.505 1.522 . . . . 61.51 111.266 -177.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 58.1 m -139.8 13.76 2.49 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.742 0.817 . . . . 64.13 110.676 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -78.65 147.82 31.45 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.296 -0.411 . . . . 71.04 112.579 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -88.04 145.68 25.85 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 108.189 -1.041 . . . . 71.11 108.189 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 67.0 26.13 9.12 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.817 0.847 . . . . 73.01 110.623 -175.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 48.1 t -64.0 -16.05 60.73 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 125.257 1.423 . . . . 54.35 112.668 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' C' ' 747' ' ' LYS . 28.8 tt0 -55.93 -40.26 72.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.386 0.674 . . . . 70.45 110.539 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.93 72.69 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.487 0.715 . . . . 60.5 111.3 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 7.7 m-20 -62.75 -52.44 63.23 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.3 1.0 . . . . 71.11 111.252 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 0.0 OUTLIER -59.28 -28.56 66.86 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.967 0.792 . . . . 73.23 111.923 -169.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' C' ' 743' ' ' GLN . 93.3 mttt -59.99 -61.59 2.5 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.0 0.813 . . . . 74.44 110.077 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.91 -41.71 96.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.692 1.245 . . . . 74.33 111.274 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 28.3 mm-40 -63.06 -41.25 99.41 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.442 0.639 . . . . 53.22 110.471 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' C' ' 746' ' ' GLN . 2.6 tp10 -66.32 -43.77 85.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 114.392 -1.276 . . . . 71.12 110.568 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 91.0 mt -67.83 -26.67 66.17 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 124.272 0.982 . . . . 45.12 110.803 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -78.42 -34.42 47.96 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.604 -0.887 . . . . 74.25 108.604 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.28 -37.31 74.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.636 0.774 . . . . 72.25 109.529 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.464 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 14.0 m-85 -66.27 -37.92 86.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.3 -0.864 . . . . 65.34 109.746 173.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.52 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 6.8 t-105 -66.76 -37.78 85.29 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 114.479 -1.237 . . . . 75.45 109.828 175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 72.5 m -62.82 -36.49 83.37 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.637 0.775 . . . . 63.52 110.571 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.464 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 21.5 m-85 -56.42 -61.79 2.17 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 123.375 0.422 . . . . 73.44 110.192 169.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.32 -31.1 51.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 O-C-N 124.526 1.141 . . . . 72.54 111.748 -171.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.401 ' HA ' HD11 ' C' ' 817' ' ' LEU . 47.3 mt-30 -66.43 -61.18 2.14 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.421 0.689 . . . . 64.41 109.796 175.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -71.4 -18.99 62.32 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.408 -1.269 . . . . 64.35 112.481 -170.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.435 ' HB2' HD12 ' C' ' 765' ' ' LEU . 4.3 ppp? -85.79 -57.45 3.04 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 108.418 -0.956 . . . . 64.44 108.418 174.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' C' ' 816' ' ' ARG . 29.5 mt -69.47 -16.14 63.41 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 118.869 0.759 . . . . 64.31 112.998 -174.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.554 HG21 ' HA ' ' A' ' 73' ' ' LEU . 8.9 t -65.81 -22.57 66.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.135 0.574 . . . . 70.3 111.038 178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.502 HD21 ' HB2' ' B' ' 110' ' ' TRP . 4.8 t30 -113.72 -47.72 2.96 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.635 1.174 . . . . 74.41 109.379 174.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' C' ' 761' ' ' MET . 17.1 mt -81.04 59.71 3.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.179 1.392 . . . . 72.3 109.47 -178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.403 ' O ' ' HD2' ' C' ' 816' ' ' ARG . 11.4 pt-20 -80.34 44.01 0.67 Allowed 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 124.91 1.284 . . . . 75.13 112.938 -171.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 35.5 m 178.6 86.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.44 1.496 . . . . 73.1 109.586 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.515 HD13 ' HB2' ' C' ' 772' ' ' ARG . 3.2 pp -164.99 154.65 13.16 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.722 0.773 . . . . 61.1 112.478 172.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 24.8 m -66.43 151.3 47.45 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.479 -1.237 . . . . 53.34 111.12 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.573 HD11 HD12 ' C' ' 795' ' ' LEU . 25.4 tp -47.39 -32.12 4.66 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.838 1.255 . . . . 70.34 112.239 168.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.56 -38.39 74.7 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.336 1.055 . . . . 65.35 112.362 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.515 ' HB2' HD13 ' C' ' 768' ' ' LEU . 0.0 OUTLIER -61.39 -58.05 9.79 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 122.966 0.506 . . . . 72.33 110.828 179.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 2.2 pp -68.43 -26.92 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 115.774 -0.648 . . . . 65.43 110.402 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.642 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 73.3 t80 -63.51 -48.01 79.35 Favored 'General case' 0 C--N 1.366 1.302 0 N-CA-C 109.045 -0.724 . . . . 75.01 109.045 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.0 -37.17 86.44 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 123.802 0.689 . . . . 72.11 111.569 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 86.9 mtp -60.41 -61.6 2.48 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.607 0.567 . . . . 72.33 110.002 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.77 -36.54 67.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.657 0.783 . . . . 71.33 111.74 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.438 ' O ' HG12 ' C' ' 781' ' ' VAL . 8.6 tpt180 -68.54 -46.86 68.4 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.154 0.982 . . . . 71.24 110.501 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.01 -57.53 10.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.141 0.576 . . . . 74.44 109.926 173.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -75.03 -16.43 60.6 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.63 0.604 . . . . 71.54 112.63 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.605 HG11 HG12 ' C' ' 790' ' ' ILE . 3.0 p -82.09 -39.72 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 117.838 0.29 . . . . 64.22 110.338 175.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.67 -30.79 9.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 116.748 -0.206 . . . . 61.24 111.485 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.8 p -73.22 -19.89 60.98 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.192 0.442 . . . . 61.34 112.192 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -125.12 -173.77 13.78 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 115.58 -0.736 . . . . 72.15 112.018 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.01 6.1 5.91 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.893 2.395 . . . . 64.53 113.113 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' C' ' 781' ' ' VAL . . . -47.01 100.05 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.516 1.526 . . . . 64.34 112.042 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 6.1 mp 52.9 20.77 1.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.318 1.047 . . . . 70.52 112.332 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.95 -79.32 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.318 1.047 . . . . 63.13 110.095 -167.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -153.78 112.93 3.74 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.493 1.117 . . . . 63.22 108.112 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.605 HG12 HG11 ' C' ' 781' ' ' VAL . 14.5 pt -73.03 163.35 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 121.237 0.541 . . . . 73.41 110.521 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -126.26 172.82 9.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.105 -0.952 . . . . 73.23 109.747 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.03 -40.03 87.93 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 118.416 -0.802 . . . . 72.12 112.587 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -74.04 -25.0 59.62 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 118.777 0.717 . . . . 73.11 111.692 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -68.82 -46.43 68.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.678 0.751 . . . . 74.41 109.729 171.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.642 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.2 OUTLIER -69.05 -43.12 75.31 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.304 -1.317 . . . . 74.34 109.787 -176.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -65.0 -41.98 94.9 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.319 -1.31 . . . . 50.14 110.13 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.2 -36.4 92.33 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 124.527 1.142 . . . . 70.3 113.27 172.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.52 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 25.4 t80 -68.8 -46.34 68.93 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.11 0.564 . . . . 73.43 110.657 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.475 ' HG ' HD13 ' C' ' 770' ' ' LEU . 4.1 mm? -66.72 -36.09 81.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.425 0.69 . . . . 74.04 111.053 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -59.23 -44.88 92.31 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 124.016 0.823 . . . . 73.1 109.395 175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -56.63 -58.05 9.74 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 124.491 1.12 . . . . 65.44 110.195 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.44 -30.17 70.41 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.734 1.013 . . . . 74.11 113.734 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 64.9 t -72.98 -46.32 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 109.702 -0.481 . . . . 63.24 109.702 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -78.22 -8.97 58.98 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.81 0.444 . . . . 73.54 112.117 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.94 -0.97 57.68 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.1 1.36 . . . . 71.23 110.346 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.51 21.29 12.42 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 125.412 1.485 . . . . 74.22 111.54 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -101.56 -24.25 14.16 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.416 1.086 . . . . 63.34 111.822 -168.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.51 143.21 45.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.786 0.834 . . . . 71.01 108.904 -175.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 40.9 t -105.24 121.98 57.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 108.832 -0.803 . . . . 75.54 108.832 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.42 108.57 21.08 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.465 -1.309 . . . . 72.13 107.465 173.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.683 ' HB3' HG13 ' C' ' 814' ' ' VAL . 32.4 t -82.19 -152.47 0.1 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 108.896 -0.779 . . . . 71.14 108.896 171.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.74 74.62 1.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 118.925 0.784 . . . . 73.41 111.757 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 68.46 30.28 73.19 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.772 -0.531 . . . . 63.43 111.772 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.683 HG13 ' HB3' ' C' ' 811' ' ' SER . 3.6 p -145.78 142.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 124.009 0.924 . . . . 72.3 108.979 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -100.83 151.15 22.06 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.248 0.547 . . . . 71.11 111.818 -173.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.644 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.3 OUTLIER -162.83 158.42 22.66 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.319 -1.31 . . . . 72.42 109.756 173.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' C' ' 759' ' ' GLN . 39.6 mt -91.97 145.05 30.2 Favored Pre-proline 0 N--CA 1.481 1.087 0 O-C-N 122.256 -0.277 . . . . 62.22 111.642 174.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -74.74 157.32 43.96 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 122.844 2.363 . . . . 70.11 110.688 166.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -80.22 -22.33 41.91 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 109.723 -0.473 . . . . 45.24 109.723 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.48 139.7 14.48 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.529 1.132 . . . . 72.13 109.272 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 64.2 m -83.93 -25.87 29.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.271 0.628 . . . . 73.24 110.325 173.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.249 1.041 0 C-N-CA 125.044 1.338 . . . . 62.24 108.415 173.575 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.659 -0.576 . . . . 73.01 111.659 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.72 146.73 48.01 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.187 -0.671 . . . . 73.24 109.187 -174.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.608 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 1.9 mp0 -87.81 164.01 16.15 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.818 -0.628 . . . . 73.34 111.776 -168.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.83 150.34 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 107.933 -1.136 . . . . 71.14 107.933 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -110.35 111.37 22.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.113 -1.069 . . . . 62.14 108.113 171.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.64 HG22 HD23 ' B' ' 167' ' ' LEU . 85.2 t -89.59 97.74 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 108.198 -1.038 . . . . 61.34 108.198 174.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -81.14 99.2 8.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.81 0.844 . . . . 64.24 109.036 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.545 HG23 ' HB2' ' B' ' 111' ' ' LYS . 9.3 t -91.39 118.61 30.68 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.653 -0.703 . . . . 41.11 109.236 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 m -110.04 144.31 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 115.561 -0.745 . . . . 64.22 109.982 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' B' ' 109' ' ' GLN . 29.9 mm-40 -122.85 88.32 2.91 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.31 0.644 . . . . 65.52 110.856 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HE3' HG22 ' B' ' 108' ' ' VAL . 51.4 t-105 -93.3 110.43 21.96 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.589 -1.263 . . . . 63.13 107.589 168.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -156.02 139.35 15.72 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.615 0.572 . . . . 65.33 110.385 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' B' ' 104' ' ' PHE . 14.8 m -81.46 122.45 27.53 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.531 0.732 . . . . 73.13 110.238 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -94.23 113.66 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 109.089 -0.708 . . . . 72.5 109.089 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -84.05 112.83 20.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.242 -0.651 . . . . 73.1 109.242 171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.56 167.75 19.46 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 109.043 -0.725 . . . . 64.24 109.043 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -111.49 142.85 43.23 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.348 0.594 . . . . 72.33 109.781 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.3 177.57 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 124.525 1.13 . . . . 63.34 108.897 169.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.25 156.31 76.86 Favored Pre-proline 0 N--CA 1.473 0.685 0 N-CA-C 108.046 -1.094 . . . . 71.13 108.046 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.97 -30.46 91.71 Favored 'Trans proline' 0 C--N 1.373 1.825 0 C-N-CA 121.909 1.739 . . . . 74.14 112.398 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -72.78 -21.5 60.98 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.974 0.796 . . . . 52.22 111.957 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.38 153.87 41.59 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.789 0.436 . . . . 60.1 110.73 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 2.6 p -92.92 160.85 14.72 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.354 0.597 . . . . 72.1 110.47 169.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 17.8 mm -70.34 -25.24 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 114.528 -1.214 . . . . 74.25 110.195 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.82 -23.59 66.34 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.08 0.952 . . . . 72.33 111.473 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 90.6 m-20 -60.23 -59.01 6.09 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.94 0.775 . . . . 54.51 109.33 171.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 30' ' ' ILE . 60.6 t -57.06 -48.04 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.518 0.727 . . . . 73.3 109.801 -178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -52.14 -50.4 61.82 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.272 1.429 . . . . 74.35 110.999 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.11 -28.08 61.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.686 0.394 . . . . 61.12 111.824 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 9.7 mmpt? -70.62 -48.47 54.91 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.474 0.31 . . . . 73.12 110.267 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 36' ' ' ILE . 10.2 pt -70.46 -32.67 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.533 177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.98 -35.87 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.804 0.442 . . . . 62.45 111.121 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -71.12 -51.55 24.41 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.604 0.762 . . . . 64.12 110.51 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -82.67 -56.94 3.55 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.892 -1.049 . . . . 75.11 111.237 -171.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.558 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 1.8 mp0 -75.55 -27.89 58.82 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.689 0.396 . . . . 72.31 110.895 -177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.06 58.15 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 123.706 0.629 . . . . 62.12 112.027 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.548 HD11 ' HB ' ' A' ' 30' ' ' ILE . 21.9 pt -89.58 114.83 62.05 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 123.023 0.529 . . . . 71.11 110.392 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.9 Cg_exo -63.82 134.61 44.38 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.586 2.19 . . . . 75.43 111.026 175.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.65 ' HA ' ' HB3' ' A' ' 41' ' ' GLN . 2.3 Cg_endo -47.05 -31.88 12.29 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 124.178 3.252 . . . . 71.33 113.128 166.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.13 -46.66 68.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 114.294 -1.321 . . . . 73.11 110.998 172.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -99.1 -3.19 35.21 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.844 1.257 . . . . 64.15 112.07 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.65 ' HB3' ' HA ' ' A' ' 38' ' ' PRO . 6.7 tt0 -96.06 108.88 21.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.266 1.427 . . . . 64.42 110.106 -175.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 15.7 mtp180 -108.86 74.1 0.89 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 107.09 -1.448 . . . . 74.31 107.09 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.4 tp -83.95 115.93 22.55 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.262 0.625 . . . . 71.52 109.47 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.734 HG12 ' HG3' ' A' ' 49' ' ' GLN . 42.8 mt -119.94 138.99 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 121.269 0.556 . . . . 75.21 109.59 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' HB3' HD21 ' A' ' 50' ' ' LEU . 31.4 t80 -131.75 119.0 20.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 64.24 108.819 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.33 22.63 11.01 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.944 0.897 . . . . 63.35 112.745 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 92.34 12.95 57.98 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-N 116.158 -0.473 . . . . 53.22 113.752 -178.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -135.09 125.74 27.03 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.248 0.619 . . . . 53.25 109.797 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.734 ' HG3' HG12 ' A' ' 44' ' ' ILE . 22.2 mp0 -74.66 130.37 39.4 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.422 0.689 . . . . 70.44 109.172 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 45' ' ' PHE . 17.7 mt -88.29 106.45 18.23 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.612 -0.722 . . . . 61.33 109.736 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.524 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 40.1 mt-10 -71.37 124.5 24.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.849 -1.167 . . . . 74.12 107.849 171.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 6.0 p-10 -63.46 -22.19 66.75 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.83 0.706 . . . . 70.14 112.422 -172.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -2.72 63.86 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 116.03 -0.532 . . . . 73.44 114.274 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HD3' ' HB2' ' A' ' 51' ' ' GLU . 2.9 mpt_? -94.72 178.0 5.73 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 117.537 0.669 . . . . 70.31 109.544 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 m -112.58 158.0 20.5 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.322 . . . . 75.32 108.392 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.07 -37.01 85.51 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.31 0.576 . . . . 65.32 109.46 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -63.4 -31.58 72.77 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.758 0.823 . . . . 51.33 112.259 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.79 -28.34 65.87 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.026 0.53 . . . . 64.41 111.232 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.39 -2.38 25.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.987 0.515 . . . . 74.24 111.599 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.58 43.49 22.48 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 124.151 0.907 . . . . 70.43 110.229 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -60.24 116.32 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.944 -1.025 . . . . 73.13 111.622 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.04 -178.64 7.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.844 -1.071 . . . . 74.51 110.707 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HG3' ' H ' ' B' ' 102' ' ' GLN . 37.8 ttmt -79.83 138.8 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.216 -0.661 . . . . 74.24 109.216 177.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 38.2 mt-10 62.89 30.49 16.54 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.016 1.326 . . . . 73.14 112.153 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.569 ' HB2' HG22 ' B' ' 103' ' ' ILE . 74.9 m -56.84 135.04 55.73 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.555 0.742 . . . . 61.54 110.968 174.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.41 113.87 27.36 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.743 0.701 . . . . 35.12 111.107 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -118.8 125.6 49.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 107.922 -1.14 . . . . 62.15 107.922 -176.443 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 tt -97.81 128.5 49.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.503 0.668 . . . . 75.03 109.554 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.614 HD23 ' H ' ' B' ' 108' ' ' VAL . 34.3 tp -87.04 115.27 24.31 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.097 -0.956 . . . . 75.12 108.594 170.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 4.0 mp -100.73 126.09 47.24 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.691 -1.596 . . . . 65.2 106.691 170.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' B' ' 108' ' ' VAL . 4.1 mm? -81.32 170.89 15.46 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.472 -0.566 . . . . 61.54 109.472 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.4 m -38.43 96.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.562 0.745 . . . . 75.52 112.604 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' C' ' 760' ' ' ALA . 3.3 tm? -67.82 -57.2 6.69 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.361 -1.718 . . . . 71.33 106.361 166.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.653 ' HB2' ' HA ' ' C' ' 822' ' ' SER . 17.7 tpp180 . . . . . 0 CA--C 1.547 0.839 0 CA-C-N 113.172 -1.831 . . . . 74.13 107.703 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 113.209 0.044 . . . . 72.13 113.209 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.58 156.27 17.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.132 0.573 . . . . 73.31 110.147 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.476 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 12.4 mm-40 -85.26 160.6 19.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.822 -0.436 . . . . 72.42 109.822 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.569 HG22 ' HB2' ' A' ' 65' ' ' SER . 30.4 pt -147.17 149.71 15.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.001 0 C-N-CA 123.85 0.86 . . . . 70.24 108.964 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.404 ' HB3' ' CG2' ' A' ' 12' ' ' THR . 15.3 m-30 -112.33 102.67 10.8 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.343 1.057 . . . . 75.52 108.195 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -101.21 101.06 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 109.257 -0.646 . . . . 72.05 109.257 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.84 96.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.777 0.831 . . . . 74.12 109.187 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 5.9 t -92.09 144.36 25.52 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 123.573 0.749 . . . . 72.41 109.832 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.614 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -120.17 140.98 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 109.177 -0.675 . . . . 71.3 109.177 173.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.719 ' HB2' ' HB2' ' A' ' 9' ' ' GLN . 71.5 mm-40 -132.34 159.32 39.53 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.45 0.7 . . . . 73.24 110.79 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -136.54 134.05 37.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.42 -1.326 . . . . 74.42 107.42 171.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' THR . 75.4 mmtt -140.24 149.58 43.05 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 107.406 -1.331 . . . . 73.21 107.406 174.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 63.6 m -119.64 132.9 55.8 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.572 -0.529 . . . . 71.02 109.572 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 37.1 mm -110.59 125.0 67.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 107.134 -1.432 . . . . 64.14 107.134 176.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.3 m -103.47 127.23 50.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.833 0.742 . . . . 61.51 109.67 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.99 170.0 16.29 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.101 -1.074 . . . . 73.35 108.101 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 34.0 tt0 -124.01 145.28 49.31 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.201 -0.666 . . . . 75.41 109.201 170.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 p -134.38 171.08 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 C-N-CA 122.93 0.492 . . . . 72.11 110.244 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -114.02 151.56 44.97 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 123.805 0.842 . . . . 72.52 109.181 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.36 -29.99 45.22 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.251 1.967 . . . . 73.4 112.458 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.4 m -78.06 -14.09 59.63 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.991 0.916 . . . . 73.53 112.618 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.407 ' HB3' HD22 ' B' ' 125' ' ' ASN . 0.8 OUTLIER -75.85 159.73 30.68 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 120.888 0.375 . . . . 65.43 109.99 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.6 p -93.39 160.89 14.61 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 123.878 0.871 . . . . 73.34 110.683 171.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' B' ' 150' ' ' LEU . 39.9 mm -65.63 -28.04 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 114.636 -1.166 . . . . 73.12 110.729 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.418 ' HA ' ' HE3' ' B' ' 127' ' ' LYS . 17.1 pt-20 -59.74 -31.91 70.07 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 123.325 0.65 . . . . 60.4 111.316 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.407 HD22 ' HB3' ' B' ' 121' ' ' ASP . 63.4 m-20 -63.17 -46.66 86.09 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.1 0.96 . . . . 64.4 110.041 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.86 -48.13 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.869 0.867 . . . . 64.21 110.695 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.457 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.1 OUTLIER -68.8 -34.92 76.34 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.768 -0.196 . . . . 74.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -46.38 89.27 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.62 0.368 . . . . 72.42 111.238 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' B' ' 133' ' ' LYS . 17.1 ptpt -73.35 -41.45 63.43 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-O 118.567 -0.73 . . . . 73.41 111.289 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.402 ' HB ' HD11 ' B' ' 136' ' ' ILE . 2.6 pp -63.18 -41.61 93.44 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 CA-C-N 119.156 0.889 . . . . 72.01 110.011 176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.11 -43.05 86.96 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 123.901 0.751 . . . . 64.23 111.045 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.37 -50.99 65.54 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.942 0.897 . . . . 54.25 111.354 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 73.1 mmtt -66.46 -62.8 1.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.41 -0.814 . . . . 74.32 111.258 -173.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.5 ' HB2' HG12 ' B' ' 136' ' ' ILE . 37.5 mt-10 -80.5 -46.83 15.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.582 0.23 . . . . 63.32 111.61 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.7 35.52 2.8 Favored Glycine 0 N--CA 1.476 1.328 0 N-CA-C 110.914 -0.874 . . . . 71.14 110.914 -169.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.5 HG12 ' HB2' ' B' ' 134' ' ' GLU . 1.5 pt -105.93 100.29 27.23 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 125.488 1.515 . . . . 52.04 110.345 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.479 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 28.0 Cg_endo -64.54 117.6 4.65 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.552 2.168 . . . . 75.04 111.166 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.457 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 33.8 Cg_endo -61.8 -20.7 70.16 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.289 2.659 . . . . 74.1 112.79 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.25 -47.17 87.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.263 -1.335 . . . . 72.31 109.518 172.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.479 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.6 OUTLIER -97.14 -3.29 41.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.882 1.273 . . . . 55.42 110.843 -177.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -128.42 101.52 6.24 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.139 -0.689 . . . . 74.2 109.139 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.709 ' HB3' HH11 ' B' ' 174' ' ' ARG . 0.8 OUTLIER -79.57 112.21 16.6 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.264 -0.643 . . . . 72.34 109.264 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.729 ' HB3' HD11 ' B' ' 167' ' ' LEU . 5.5 mp -75.82 139.7 41.89 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.577 -0.527 . . . . 74.34 109.577 -179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 148' ' ' LYS . 17.5 t70 -123.31 114.04 19.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.607 0.763 . . . . 72.4 108.954 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.586 ' HB2' HD21 ' B' ' 150' ' ' LEU . 6.0 t80 -109.19 97.92 7.45 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.619 -0.882 . . . . 71.33 108.619 -171.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 47.52 32.79 2.53 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.663 0.785 . . . . 63.21 112.361 -172.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.411 ' HA2' HH12 ' C' ' 816' ' ' ARG . . . 94.56 17.59 38.47 Favored Glycine 0 C--N 1.351 1.362 0 N-CA-C 114.193 0.437 . . . . 50.01 114.193 -175.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 144' ' ' ASP . 41.3 mmtm -107.56 173.71 6.2 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.813 0.806 . . . . 74.02 109.861 172.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -133.82 127.53 32.84 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 106.582 -1.636 . . . . 71.23 106.582 167.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.5 mm? -88.41 137.78 32.02 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.637 0.775 . . . . 71.04 110.3 -167.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 5.6 mp0 -89.32 126.97 35.74 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.761 -1.199 . . . . 55.41 107.761 166.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -62.21 -35.83 80.07 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.064 0.459 . . . . 65.43 110.818 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -85.27 21.05 13.75 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.898 -0.592 . . . . 72.11 113.239 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 13.0 tpt180 -104.95 174.14 6.01 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.888 -1.153 . . . . 65.25 107.888 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 34.8 m -116.72 150.1 38.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.452 0.701 . . . . 74.54 110.181 -174.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.555 HD12 HG13 ' B' ' 161' ' ' ILE . 4.1 mm? -58.91 -42.54 89.88 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.601 0.76 . . . . 74.23 111.163 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 48.3 t -58.07 -35.21 71.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.408 0.683 . . . . 63.23 112.255 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.35 -29.51 67.72 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.339 0.656 . . . . 64.42 111.39 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -96.9 -4.88 39.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 119.095 -0.479 . . . . 74.2 111.184 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 63.2 t30 52.97 58.11 5.66 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 122.202 1.001 . . . . 74.25 110.276 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.555 HG13 HD12 ' B' ' 156' ' ' LEU . 22.0 mm -66.44 114.66 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 114.002 -1.454 . . . . 70.45 111.114 -172.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -81.71 148.56 28.91 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 109.199 -0.667 . . . . 61.34 109.199 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -57.66 131.08 49.18 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 109.313 -0.625 . . . . 74.34 109.313 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 73.63 22.84 2.51 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 124.391 1.057 . . . . 73.33 111.504 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 75.5 m -51.12 127.26 18.69 Favored 'General case' 0 C--N 1.369 1.421 0 N-CA-C 111.669 0.248 . . . . 44.34 111.669 166.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -84.17 140.15 31.93 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.39 0.614 . . . . 65.21 110.174 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' B' ' 143' ' ' LEU . 23.0 tp -145.35 107.44 4.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.101 0.96 . . . . 72.53 108.81 -170.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.4 pt -95.01 124.83 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 121.535 0.683 . . . . 63.01 110.715 -173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.522 HD12 ' HB ' ' A' ' 7' ' ' THR . 79.4 mt -72.64 107.18 4.99 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.381 -0.827 . . . . 75.2 110.598 172.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 68.3 mt -95.79 156.54 16.29 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.215 -1.031 . . . . 65.4 108.215 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.48 173.5 10.26 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.185 0.594 . . . . 73.51 109.903 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 14.5 t -44.64 159.99 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.349 1.059 . . . . 64.42 112.398 172.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' B' ' 174' ' ' ARG 0.313 0.6 OUTLIER 48.03 -79.67 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.956 1.302 . . . . 73.31 111.098 -156.54 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.709 HH11 ' HB3' ' B' ' 142' ' ' ARG . 16.2 tpt180 . . . . . 0 C--O 1.257 1.484 0 N-CA-C 108.678 -0.86 . . . . 63.21 108.678 173.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.828 -0.509 . . . . 50.3 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 45.7 m -84.92 93.93 8.65 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 123.245 0.618 . . . . 60.21 110.203 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.55 109.92 8.42 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.111 -1.441 . . . . 70.23 107.111 168.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 77.5 p 178.71 -42.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.656 0.782 . . . . 74.52 110.334 -172.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.8 99.59 0.12 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.305 1.042 . . . . 62.53 110.287 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 29.2 p -163.4 95.94 0.85 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.817 0.847 . . . . 73.41 109.625 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -76.02 -52.36 6.35 Favored Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.357 -0.697 . . . . 50.21 111.357 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 90.6 mmm -91.62 -176.44 4.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.007 0.923 . . . . 72.33 109.894 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 64.15 39.41 7.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.632 0.773 . . . . 74.44 111.903 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.6 p -61.43 -13.66 22.14 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 114.164 1.172 . . . . 33.32 114.164 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -111.82 -28.75 7.94 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.057 0.456 . . . . 73.25 110.666 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -87.51 -19.29 28.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.75 0.82 . . . . 63.21 112.504 -172.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -62.36 -51.53 67.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.437 0.695 . . . . 65.01 111.077 -170.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -53.63 -30.91 45.14 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.456 0.702 . . . . 74.22 112.555 -173.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.55 -62.92 1.51 Allowed 'General case' 0 C--N 1.345 0.375 0 O-C-N 124.235 0.959 . . . . 73.14 110.466 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -69.79 -28.12 65.47 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.263 -0.88 . . . . 74.04 111.517 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.49 -46.34 73.22 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.525 -0.546 . . . . 74.3 109.525 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -70.37 -37.23 74.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.204 -0.907 . . . . 64.21 110.604 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.8 -34.64 77.17 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.084 0.553 . . . . 63.11 111.719 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.87 -40.58 72.2 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.045 -1.095 . . . . 72.23 108.045 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.22 -45.96 91.0 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.243 0.964 . . . . 72.14 110.836 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.509 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 16.4 m-30 -57.74 -47.66 81.83 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.626 0.726 . . . . 61.43 109.814 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -66.95 -26.67 66.95 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 114.181 -1.372 . . . . 74.52 111.003 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.2 m -67.75 -40.78 84.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.113 -0.699 . . . . 74.24 109.113 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.509 ' HD1' ' HA ' ' C' ' 754' ' ' PHE . 35.0 m-85 -59.45 -57.71 11.78 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 120.655 0.264 . . . . 74.32 110.958 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.721 HD11 HD11 ' C' ' 777' ' ' LEU . 20.3 mt -66.19 -43.32 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 124.273 0.983 . . . . 70.43 110.634 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.75 -48.9 70.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.033 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.44 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -69.22 -32.24 71.36 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.616 0.598 . . . . 44.33 112.616 -175.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 25.5 ptm -72.37 -44.17 62.94 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 108.652 -0.87 . . . . 74.1 108.652 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.609 HD21 ' HG ' ' C' ' 768' ' ' LEU . 39.1 mt -71.1 -10.62 60.07 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.061 0.944 . . . . 71.24 112.812 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 17.5 m -77.23 -17.0 58.8 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.222 1.009 . . . . 71.22 111.693 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -119.82 -53.15 2.19 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.21 0.604 . . . . 74.14 110.623 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -99.09 83.37 2.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 107.664 -1.236 . . . . 72.22 107.664 172.256 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' C' ' 762' ' ' LEU . 38.7 mp0 -71.62 66.39 0.51 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 116.123 -0.49 . . . . 75.23 111.425 175.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 11.4 m 167.98 139.79 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 128.367 2.667 . . . . 62.23 108.398 167.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.609 ' HG ' HD21 ' C' ' 762' ' ' LEU . 0.8 OUTLIER -158.14 143.36 16.66 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.889 -1.051 . . . . 45.33 109.388 172.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 15.8 m -80.96 145.11 31.39 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.447 -1.316 . . . . 73.03 107.447 167.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.483 ' O ' HD12 ' C' ' 770' ' ' LEU . 5.1 tp -59.48 -28.58 67.14 Favored 'General case' 0 C--O 1.204 -1.337 0 O-C-N 124.017 0.823 . . . . 71.42 112.371 -170.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -53.79 -39.4 65.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 119.348 0.976 . . . . 74.13 111.698 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' C' ' 768' ' ' LEU . 69.8 mtt180 -66.61 -61.08 2.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.04 0.936 . . . . 72.13 110.13 -175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -34.24 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 113.841 -1.527 . . . . 72.44 110.834 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.429 ' HD2' HD13 ' C' ' 795' ' ' LEU . 9.7 t80 -66.95 -45.72 76.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.435 0.694 . . . . 74.34 111.252 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.04 -41.43 92.25 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 122.776 0.43 . . . . 74.25 110.324 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 33.1 mtm -65.13 -55.88 16.17 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.65 -0.705 . . . . 74.5 110.626 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.721 HD11 HD11 ' C' ' 758' ' ' ILE . 4.9 mt -55.45 -35.71 65.75 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 123.041 0.536 . . . . 72.12 111.075 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -59.09 -55.96 28.38 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.283 1.033 . . . . 62.11 110.584 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -58.23 -46.64 85.53 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 123.931 0.77 . . . . 75.12 110.733 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -65.21 -39.15 92.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.098 0.559 . . . . 73.25 112.226 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.434 HG21 ' H ' ' C' ' 790' ' ' ILE . 4.9 p -75.81 -31.31 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.75 0.25 . . . . 63.31 111.329 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.24 -27.05 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 112.145 0.424 . . . . 74.33 112.145 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 10.3 p -66.27 -23.83 66.47 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 112.239 0.459 . . . . 72.12 112.239 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -127.41 172.72 18.71 Favored Glycine 0 N--CA 1.462 0.372 0 N-CA-C 110.767 -0.933 . . . . 65.4 110.767 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.31 -32.87 97.51 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.375 2.05 . . . . 71.04 111.34 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 37.04 -89.26 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.944 2.098 . . . . 33.13 114.839 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.83 24.81 2.83 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.985 0.914 . . . . 74.14 110.984 -171.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.74 33.44 20.16 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.194 0.998 . . . . 74.4 111.603 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 65.48 112.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.684 1.593 . . . . 65.14 111.356 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.8 pt -72.86 153.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 121.499 0.666 . . . . 74.12 110.151 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.92 176.28 5.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.961 -1.018 . . . . 74.03 109.464 -173.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.87 -53.0 61.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.558 0.743 . . . . 75.01 111.252 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.25 -25.07 66.71 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.882 0.31 . . . . 70.02 111.305 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -55.3 10.76 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 109.082 -0.71 . . . . 60.13 109.082 176.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' C' ' 774' ' ' TYR . 2.7 tt -65.76 -51.1 61.88 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.318 1.447 . . . . 64.32 110.497 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.32 -38.82 77.89 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 123.853 0.861 . . . . 74.35 110.555 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.48 80.82 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 123.796 0.685 . . . . 72.02 113.549 170.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -62.56 -45.97 90.51 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.722 0.809 . . . . 73.45 110.312 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 57.8 mt -67.55 -45.94 74.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.205 -1.361 . . . . 54.32 112.493 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -28.03 66.88 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.901 -0.407 . . . . 52.11 109.901 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -51.12 64.7 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 108.697 -0.853 . . . . 64.42 108.697 171.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -57.13 -37.01 71.39 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 123.452 0.47 . . . . 71.31 112.249 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 93.9 t -65.37 -43.35 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 121.047 0.451 . . . . 75.33 110.759 174.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -79.92 -8.08 59.12 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.002 0.921 . . . . 75.02 112.276 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -88.05 -5.56 58.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.713 1.205 . . . . 71.1 109.715 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.98 12.73 7.12 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.679 1.592 . . . . 64.4 111.561 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -78.93 -37.44 39.77 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.389 1.075 . . . . 64.02 110.32 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 45.4 tp -127.49 138.85 53.05 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.93 0.892 . . . . 65.01 109.495 -167.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.03 135.23 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.086 0.954 . . . . 72.32 109.695 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -93.11 116.06 28.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.257 -1.016 . . . . 74.01 108.257 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 24.5 t -89.5 -139.71 0.13 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.963 -0.754 . . . . 75.03 108.963 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.81 71.87 2.01 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.678 0.672 . . . . 72.21 110.812 177.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 75.99 19.25 78.9 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.249 -0.887 . . . . 53.44 113.741 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 22.8 m -133.82 165.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.647 0.779 . . . . 70.53 109.942 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.83 140.62 37.41 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.241 -0.651 . . . . 63.54 109.241 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.588 ' HA ' HD22 ' C' ' 762' ' ' LEU . 0.1 OUTLIER -151.33 132.21 14.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.728 0.811 . . . . 73.3 109.469 178.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 70.8 mt -75.91 135.14 70.99 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 109.258 -0.645 . . . . 53.32 109.258 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.01 -74.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 123.419 2.746 . . . . 75.44 111.794 170.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -172.3 85.77 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 C-N-CA 125.691 1.597 . . . . 54.13 108.486 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -76.1 -55.13 5.88 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.863 -0.791 . . . . 74.35 108.863 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 57.3 m 50.38 10.56 0.06 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.64 1.576 . . . . 71.41 114.267 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . 0.653 ' HA ' ' HB2' ' A' ' 74' ' ' ARG . 51.6 p . . . . . 0 C--O 1.257 1.461 0 C-N-CA 125.009 1.324 . . . . 62.22 108.881 -168.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 120.059 -0.3 . . . . 74.3 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.477 ' HB2' ' HA ' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -105.46 145.59 30.66 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.098 0.559 . . . . 75.33 110.307 -174.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.4 OUTLIER -101.07 119.87 39.37 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 109.38 -0.6 . . . . 70.35 109.38 -174.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 pt -117.25 161.96 15.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 CA-C-O 121.162 0.506 . . . . 62.1 110.229 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 11.8 m-85 -112.46 118.82 36.22 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.341 -0.985 . . . . 65.43 108.341 -178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 115' ' ' LEU . 52.9 t -96.37 91.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 106.95 -1.5 . . . . 73.4 106.95 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' B' ' 168' ' ' ILE . 4.8 m-20 -80.86 100.25 8.74 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.046 -1.434 . . . . 41.33 109.929 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.428 HG23 ' HB2' ' B' ' 111' ' ' LYS . 5.5 t -99.38 112.39 24.58 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.394 0.616 . . . . 62.53 109.631 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' B' ' 110' ' ' TRP . 8.4 p -94.35 127.53 46.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 108.99 -0.744 . . . . 71.22 108.99 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' B' ' 108' ' ' VAL . 85.7 mm-40 -108.59 81.19 1.43 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 107.473 -1.306 . . . . 70.03 107.473 176.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.739 ' HE3' ' HB ' ' B' ' 108' ' ' VAL . 7.3 t-105 -112.42 102.17 10.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 107.15 -1.426 . . . . 72.33 107.15 177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' NZ ' ' HB2' ' B' ' 171' ' ' LEU . 34.5 mttt -163.57 157.82 19.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.853 0.861 . . . . 74.13 112.039 -173.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 ' HB3' ' B' ' 104' ' ' PHE . 59.6 m -75.53 120.3 20.76 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.76 -1.564 . . . . 44.24 111.336 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 mm -94.15 113.8 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.796 -1.187 . . . . 73.12 107.796 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.46 HG22 ' CD1' ' B' ' 104' ' ' PHE . 24.5 p -93.63 101.61 13.77 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.883 0.373 . . . . 73.23 110.126 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD21 HG23 ' B' ' 105' ' ' VAL . 1.3 pt? -120.61 171.27 8.69 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 115.679 -0.691 . . . . 64.34 109.249 -178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' B' ' 102' ' ' GLN . 38.5 tt0 -124.78 127.46 47.24 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.17 -1.048 . . . . 74.44 108.17 171.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -122.94 167.94 15.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.492 0.717 . . . . 72.15 109.217 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -100.24 149.88 36.43 Favored Pre-proline 0 N--CA 1.473 0.707 0 N-CA-C 109.862 -0.421 . . . . 74.12 109.862 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.83 -36.07 92.11 Favored 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.601 2.201 . . . . 74.35 111.685 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -79.46 -11.36 59.91 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.433 1.083 . . . . 72.12 113.187 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.04 164.4 24.38 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.898 0.317 . . . . 72.44 110.353 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.8 p -90.43 161.5 15.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.614 0.766 . . . . 63.33 111.207 173.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.558 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.9 mm -65.07 -25.22 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 115.091 -0.959 . . . . 71.22 110.781 175.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 7.7 pt-20 -62.44 -19.09 63.14 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 122.956 0.503 . . . . 72.1 111.455 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.96 -41.78 70.64 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.019 0.528 . . . . 73.42 110.853 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.56 -41.76 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 109.129 -0.693 . . . . 70.4 109.129 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -52.08 -51.19 59.27 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.791 0.837 . . . . 74.43 111.125 168.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.11 82.51 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 114.79 -1.095 . . . . 72.21 111.036 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -75.54 -34.93 60.79 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 123.598 0.561 . . . . 73.13 112.463 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 36' ' ' ILE . 21.6 pt -71.57 -33.38 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.0 0.818 . . . . 72.33 109.65 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.46 -35.19 77.22 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.35 1.06 . . . . 74.34 110.94 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.1 -44.08 49.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.236 1.014 . . . . 65.44 111.871 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.56 -52.09 6.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.348 -0.842 . . . . 73.21 111.259 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -106.26 -8.99 17.03 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 112.153 0.427 . . . . 72.42 112.153 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.19 10.58 84.61 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 119.82 -0.434 . . . . 71.12 114.137 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.486 HD12 ' HB ' ' A' ' 30' ' ' ILE . 83.0 mt -63.59 126.59 89.93 Favored Pre-proline 0 N--CA 1.481 1.101 0 C-N-CA 124.091 0.957 . . . . 74.05 111.5 -172.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 22.5 Cg_exo -66.82 122.96 10.41 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.814 2.343 . . . . 70.25 112.484 174.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 1.8 Cg_endo -48.22 -34.27 23.89 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 124.278 3.318 . . . . 70.4 113.434 165.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.3 -36.08 72.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.73 -1.123 . . . . 72.43 111.618 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' HA ' ' OG1' ' A' ' 72' ' ' THR . 18.5 mt-30 -98.8 -0.29 42.87 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.016 0.527 . . . . 71.52 112.358 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.11 122.55 24.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.352 1.061 . . . . 72.21 110.78 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 26.8 mtp-105 -125.58 77.98 1.7 Allowed 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.694 -1.595 . . . . 72.13 106.694 167.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 117.8 20.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.54 0.736 . . . . 60.05 109.843 -175.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG21 ' CE1' ' C' ' 757' ' ' TYR . 8.7 mm -110.04 139.36 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 108.877 -0.786 . . . . 74.05 108.877 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HD1' ' HG ' ' A' ' 67' ' ' LEU . 86.1 t80 -121.43 100.59 7.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.685 1.194 . . . . 52.54 108.933 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.45 26.88 13.15 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.592 0.757 . . . . 64.52 112.374 174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 96.55 11.91 52.42 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.807 -0.633 . . . . 72.32 114.411 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -126.55 127.06 44.7 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.359 0.664 . . . . 72.33 110.293 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.475 HE22 HD11 ' C' ' 753' ' ' LEU . 24.5 mp0 -78.95 132.87 36.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.717 0.807 . . . . 64.2 110.686 -171.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 36.3 mt -94.78 117.33 29.96 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.729 0.812 . . . . 61.31 111.44 -175.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -81.85 128.73 34.33 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 107.9 -1.148 . . . . 73.15 107.9 165.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.558 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.0 p-10 -63.85 -24.09 67.61 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.357 0.663 . . . . 73.32 112.386 -172.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.87 -15.75 76.16 Favored Glycine 0 C--N 1.344 1.018 0 CA-C-N 115.652 -0.704 . . . . 51.13 114.028 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -81.19 171.99 14.2 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.226 0.61 . . . . 65.12 109.835 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 63.3 m -98.7 160.14 14.47 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.848 0.859 . . . . 65.31 109.498 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD13 HD12 ' A' ' 61' ' ' ILE . 3.9 mm? -61.05 -48.99 79.18 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.506 -0.553 . . . . 62.12 109.506 173.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 t -66.32 -21.94 66.27 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.226 -0.897 . . . . 74.43 112.142 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' THR . 11.7 t70 -54.89 -38.33 67.42 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.127 0.571 . . . . 70.11 110.178 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' HB2' HG13 ' A' ' 61' ' ' ILE . 99.1 m-85 -99.04 -0.5 41.8 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 74.21 111.57 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.86 41.1 21.93 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.668 0.747 . . . . 74.13 110.124 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 59' ' ' TYR . 39.1 mt -64.16 111.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 CA-C-N 115.604 -0.725 . . . . 73.33 109.643 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.44 -173.81 2.87 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.509 -0.768 . . . . 54.05 110.897 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.65 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -75.41 147.26 40.1 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.681 -0.69 . . . . 74.32 110.812 176.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.26 26.93 12.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.319 1.447 . . . . 75.32 112.937 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 103' ' ' ILE . 69.2 m -71.34 134.41 46.7 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.121 0.568 . . . . 64.55 110.31 175.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SD ' ' C' ' 779' ' ' MET . . . -98.22 113.38 25.29 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.286 0.565 . . . . 71.43 110.498 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' ' HD1' ' A' ' 45' ' ' PHE . 2.4 mp -104.12 153.12 21.3 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.916 1.287 . . . . 73.2 108.286 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HZ ' ' C' ' 780' ' ' PHE . 8.6 tt -124.94 134.97 65.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.146 -0.687 . . . . 73.04 109.146 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' H ' ' B' ' 108' ' ' VAL . 26.7 tp -96.22 118.28 32.46 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.465 -0.789 . . . . 74.31 109.352 172.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 42' ' ' ARG . 6.9 mp -96.71 136.5 37.16 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.998 -1.482 . . . . 50.24 106.998 166.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.43 158.5 20.2 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 40' ' ' GLN . 82.9 m -35.75 110.78 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.782 0.833 . . . . 52.41 112.758 170.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HG ' ' HG3' ' A' ' 74' ' ' ARG . 21.7 tp -69.72 -53.5 18.17 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.267 -1.333 . . . . 74.44 110.936 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG3' ' HG ' ' A' ' 73' ' ' LEU . 44.0 mtm180 . . . . . 0 C--O 1.248 0.996 0 N-CA-C 109.37 -0.604 . . . . 72.42 109.37 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 112.876 -0.09 . . . . 74.24 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.5 145.52 43.25 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.678 0.791 . . . . 50.31 109.228 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -87.05 155.51 20.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.187 0.595 . . . . 71.01 109.529 -177.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 65' ' ' SER . 29.2 pt -149.13 152.45 12.03 Favored 'Isoleucine or valine' 0 C--O 1.244 0.797 0 CA-C-O 121.292 0.567 . . . . 64.51 109.845 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 12' ' ' THR . 10.0 m-85 -111.72 99.57 8.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.432 -1.258 . . . . 74.02 107.605 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.478 HG23 HD21 ' A' ' 15' ' ' LEU . 48.2 t -100.46 104.43 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 N-CA-C 108.828 -0.804 . . . . 72.0 108.828 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 11.2 t70 -80.22 99.62 7.91 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.192 -1.04 . . . . 72.3 108.192 -175.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' TRP . 63.1 p -100.06 141.18 33.23 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.874 0.87 . . . . 51.22 111.369 -171.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.739 ' HB ' ' HE3' ' A' ' 10' ' ' TRP . 4.0 p -119.96 132.06 70.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 CA-C-O 121.74 0.781 . . . . 75.44 111.926 170.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -135.62 97.53 3.69 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.261 -1.336 . . . . 75.41 107.467 166.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 8' ' ' VAL . 10.9 t-105 -73.68 130.34 39.8 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.369 -1.345 . . . . 73.44 107.369 171.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 7' ' ' THR . 7.0 mtpm? -132.0 155.47 47.95 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.576 1.151 . . . . 75.24 108.643 -174.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 30.4 m -135.29 123.2 22.58 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.952 0.501 . . . . 74.42 110.596 -175.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 38.4 mt -95.69 152.36 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 N-CA-C 107.605 -1.257 . . . . 62.41 107.605 168.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -135.6 113.54 11.16 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.401 -0.962 . . . . 64.25 108.401 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.671 HD13 ' HD2' ' B' ' 129' ' ' LYS . 0.9 OUTLIER -128.64 167.8 16.67 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.174 -0.921 . . . . 70.41 108.93 -177.136 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 31.3 tt0 -108.97 147.19 32.64 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.861 -1.163 . . . . 74.21 107.861 163.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.21 163.88 7.29 Favored 'Isoleucine or valine' 0 C--O 1.251 1.156 0 N-CA-C 109.399 -0.593 . . . . 74.41 109.399 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -108.12 152.71 41.93 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 109.202 -0.666 . . . . 73.42 109.202 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . 0.415 ' HB2' ' HB2' ' B' ' 157' ' ' SER . 43.8 Cg_endo -65.15 -34.65 45.2 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.372 2.048 . . . . 70.43 111.465 173.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -74.78 -15.88 60.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.912 0.885 . . . . 54.31 111.967 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.08 146.21 49.41 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 109.642 -0.503 . . . . 72.11 109.642 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 1.0 OUTLIER -84.69 168.15 15.52 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 123.754 0.659 . . . . 73.33 110.697 167.33 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.44 HG12 ' O ' ' B' ' 154' ' ' ARG . 37.4 mm -73.25 -17.13 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 115.883 -0.598 . . . . 74.33 109.632 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.472 ' HG2' ' OG1' ' B' ' 122' ' ' THR . 10.4 pt-20 -56.21 -34.73 66.57 Favored 'General case' 0 C--N 1.357 0.935 0 C-N-CA 123.331 0.652 . . . . 71.23 110.714 174.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.54 -42.89 98.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.309 0.644 . . . . 72.12 110.584 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.39 -45.45 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.513 -0.767 . . . . 74.41 110.568 -175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.607 ' HD3' ' HB3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -67.52 -36.3 80.76 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.0 0.429 . . . . 74.54 111.026 177.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.482 ' N ' ' HD2' ' B' ' 127' ' ' LYS . . . -65.84 -41.75 91.35 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.79 -0.641 . . . . 43.12 111.054 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.671 ' HD2' HD13 ' B' ' 115' ' ' LEU . 18.0 ptpt -74.92 -40.84 60.62 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 118.987 -0.53 . . . . 63.01 110.889 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.469 HD11 HE21 ' B' ' 141' ' ' GLN . 32.1 pt -66.96 -26.28 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-N 119.026 0.83 . . . . 54.03 110.706 177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -73.73 -42.74 60.74 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 122.122 -0.361 . . . . 73.42 110.834 169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.69 -35.4 80.92 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.408 0.683 . . . . 64.42 111.409 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 129' ' ' LYS . 66.3 mmtt -96.67 -50.52 4.67 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.21 -0.904 . . . . 74.01 111.127 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -101.94 -24.43 14.01 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.797 0.439 . . . . 75.13 111.873 -170.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 88.68 15.43 59.84 Favored Glycine 0 N--CA 1.479 1.526 0 CA-C-O 120.118 -0.268 . . . . 71.14 113.591 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.413 HD13 HD21 ' B' ' 169' ' ' LEU . 74.0 mt -74.64 121.56 85.53 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 123.657 0.783 . . . . 75.43 110.204 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.2 126.38 11.06 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.217 2.611 . . . . 72.14 112.229 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.607 ' HB3' ' HD3' ' B' ' 127' ' ' LYS . 9.2 Cg_endo -52.86 -47.27 28.33 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 123.951 3.101 . . . . 74.25 113.969 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -26.58 66.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.35 111.153 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -109.52 15.96 22.57 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.591 0.757 . . . . 61.41 111.242 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.552 HE22 ' HB2' ' B' ' 143' ' ' LEU . 0.0 OUTLIER -115.57 136.91 52.6 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.866 -0.791 . . . . 73.54 108.866 171.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -117.14 85.41 2.32 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.319 1.047 . . . . 75.14 108.195 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.552 ' HB2' HE22 ' B' ' 141' ' ' GLN . 0.9 OUTLIER -74.36 110.08 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.734 -0.839 . . . . 70.34 108.734 178.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' B' ' 168' ' ' ILE . 20.4 t70 -99.14 138.78 35.76 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.285 0.564 . . . . 64.31 110.086 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.402 ' HE1' ' OG ' ' B' ' 165' ' ' SER . 45.3 t80 -133.84 106.38 7.28 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.727 1.211 . . . . 63.15 108.83 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 62.49 27.72 16.41 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.055 0.942 . . . . 71.42 112.479 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.68 3.47 64.4 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-N 116.389 -0.369 . . . . 72.14 113.133 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -127.71 117.75 22.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.827 0.851 . . . . 75.11 110.215 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' B' ' 144' ' ' ASP . 69.2 mt-30 -68.61 150.7 47.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.37 0.668 . . . . 73.52 111.147 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.608 HD11 HD23 ' B' ' 167' ' ' LEU . 88.7 mt -93.92 112.33 24.16 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.138 0.975 . . . . 75.11 111.25 -170.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 38.6 mt-10 -65.93 125.62 25.97 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.652 0.781 . . . . 75.32 109.393 175.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.58 -31.26 64.06 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.169 0.988 . . . . 55.23 112.442 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -96.18 21.43 45.34 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.303 -0.408 . . . . 74.34 113.847 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 0.4 OUTLIER -111.35 158.71 18.73 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 123.81 0.844 . . . . 75.54 109.381 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 14.5 p -94.62 159.76 14.93 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.751 0.705 . . . . 74.11 111.304 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.21 -38.66 92.03 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 124.071 0.857 . . . . 65.24 109.264 174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' B' ' 119' ' ' PRO . 12.9 t -65.7 -31.37 72.34 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.244 0.617 . . . . 64.34 111.822 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.0 -30.47 69.16 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.393 0.677 . . . . 74.45 110.965 178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -97.93 -9.2 26.63 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.19 0.596 . . . . 74.32 110.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.4 t30 54.5 57.73 5.53 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.979 1.312 . . . . 71.51 110.359 -173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.11 116.67 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 114.238 -1.346 . . . . 70.31 110.179 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' B' ' 165' ' ' SER . 9.5 pt20 -85.29 155.15 21.48 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.373 0.606 . . . . 73.43 110.816 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 14.2 ptmm? -63.58 133.02 53.02 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.163 -0.926 . . . . 74.54 109.625 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 67.14 22.64 9.77 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.231 -1.349 . . . . 55.41 112.051 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' B' ' 162' ' ' GLN . 10.9 t -64.94 142.9 58.28 Favored 'General case' 0 C--N 1.361 1.092 0 C-N-CA 121.071 -0.252 . . . . 55.11 110.628 170.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.6 126.18 45.54 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.019 -0.734 . . . . 72.23 109.019 174.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.608 HD23 HD11 ' B' ' 150' ' ' LEU . 3.5 mp -122.7 124.37 43.25 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.516 -1.291 . . . . 60.31 107.516 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.4 tt -93.64 100.65 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 122.459 1.123 . . . . 70.41 110.324 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' B' ' 141' ' ' GLN . 52.4 tp -77.31 106.87 9.32 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.995 -1.457 . . . . 64.34 109.863 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.36 162.73 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.421 -1.263 . . . . 75.11 109.028 171.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.603 ' HB2' ' NZ ' ' A' ' 11' ' ' LYS . 4.2 mp -87.81 176.83 7.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.36 -0.978 . . . . 53.41 108.36 170.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.2 t -36.69 129.53 0.79 Allowed 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 124.963 1.305 . . . . 62.41 113.024 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.99 -92.13 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.573 1.149 . . . . 75.14 109.219 -162.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--O 1.253 1.243 0 N-CA-C 106.921 -1.511 . . . . 72.24 106.921 172.336 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.969 -0.452 . . . . 60.32 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 46.0 t -80.58 83.06 6.44 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 121.531 0.682 . . . . 51.55 110.704 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.17 148.12 28.65 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.328 1.051 . . . . 54.13 109.8 172.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 38.0 t -173.27 -54.17 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.053 -0.721 . . . . 55.31 109.053 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.43 -168.35 0.21 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.585 1.154 . . . . 74.03 111.985 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 30.3 t -154.01 -169.06 3.14 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.602 0.761 . . . . 71.03 109.511 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -83.49 -162.16 32.72 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 122.621 0.153 . . . . 74.24 113.272 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 95.6 mmm -118.44 127.07 53.31 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.368 0.667 . . . . 74.24 111.106 -177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' C' ' 745' ' ' ASP . . . -172.0 -34.37 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.571 1.548 . . . . 20.52 109.442 176.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t 81.11 -70.15 0.08 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.562 1.945 . . . . 51.43 111.501 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -76.95 -55.99 4.98 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.865 0.364 . . . . 75.34 111.193 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -67.08 -23.19 65.83 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.756 -0.656 . . . . 70.43 110.735 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' C' ' 741' ' ' ALA . 21.2 t70 -82.57 -47.8 11.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 122.86 0.464 . . . . 73.35 111.345 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 19.1 pt20 -57.07 -46.39 82.53 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 123.715 0.634 . . . . 62.12 111.716 -174.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' C' ' 751' ' ' LEU . 16.0 ptpt -60.02 -44.38 94.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.764 0.665 . . . . 64.32 110.826 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.273 0.629 . . . . 64.45 111.238 176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.17 -40.5 85.79 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.771 0.669 . . . . 74.41 109.83 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 24.8 mm-40 -69.51 -44.15 71.63 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-N 115.083 -0.962 . . . . 64.41 111.678 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 45.0 mt -69.35 -34.58 74.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.662 0.385 . . . . 61.33 110.742 -177.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.62 -37.01 68.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.848 -0.797 . . . . 61.15 108.848 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . 0.475 HD11 HE22 ' A' ' 49' ' ' GLN . 0.5 OUTLIER -67.21 -38.5 85.41 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 109.695 -0.483 . . . . 73.53 109.695 175.317 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.422 ' HA ' ' CD2' ' C' ' 757' ' ' TYR . 17.6 m-30 -63.98 -39.89 95.14 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.794 0.838 . . . . 72.11 108.847 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.44 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 17.1 t-105 -66.94 -36.73 82.9 Favored 'General case' 0 C--O 1.195 -1.808 0 CA-C-N 114.456 -1.247 . . . . 62.32 110.503 173.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 51.7 m -62.32 -37.45 85.66 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.768 0.713 . . . . 55.32 110.623 176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.587 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.4 m-85 -65.65 -60.76 2.58 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.865 -0.607 . . . . 61.21 109.964 177.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.08 -36.18 76.07 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 124.252 0.97 . . . . 64.3 111.042 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' C' ' 755' ' ' TRP . 7.7 tt0 -67.21 -53.86 26.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.583 0.753 . . . . 74.14 109.68 -177.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.41 65.71 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.243 0.617 . . . . 62.22 111.283 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.468 ' HE2' HD22 ' C' ' 765' ' ' LEU . 27.0 ttt -70.38 -44.65 67.63 Favored 'General case' 0 C--O 1.203 -1.383 0 CA-C-N 115.148 -0.933 . . . . 65.34 109.931 173.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.798 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 78.8 mt -74.68 -19.42 60.27 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.343 1.057 . . . . 72.44 111.665 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 63.2 m -70.95 -25.06 62.57 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.196 0.998 . . . . 73.13 111.101 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -109.0 -56.59 2.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.397 -0.964 . . . . 72.41 108.397 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' C' ' 761' ' ' MET . 8.4 mp -80.31 78.92 6.96 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.339 1.456 . . . . 64.54 108.222 172.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -77.99 43.31 0.43 Allowed 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 112.121 0.415 . . . . 63.33 112.121 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 14.8 p 173.33 118.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.982 1.713 . . . . 63.21 109.649 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.51 ' HB2' ' HD2' ' C' ' 772' ' ' ARG . 2.6 pp -164.82 161.54 20.43 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.27 0.628 . . . . 70.5 111.354 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 13.3 t -86.89 155.01 20.41 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 122.961 0.504 . . . . 71.43 109.779 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.22 -30.61 60.32 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 124.273 1.029 . . . . 74.34 110.197 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.3 -59.74 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.498 1.119 . . . . 75.13 112.402 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.51 ' HD2' ' HB2' ' C' ' 768' ' ' LEU . 99.6 mtt180 -52.25 -52.5 52.16 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.983 0.913 . . . . 65.12 111.746 -174.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' C' ' 761' ' ' MET . 2.8 pp -74.04 -29.9 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.718 -1.128 . . . . 71.22 111.544 -173.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -68.17 -41.32 81.68 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 109.423 -0.584 . . . . 73.54 109.423 173.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.03 -49.65 73.75 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.816 0.698 . . . . 73.11 110.251 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . 0.44 ' HG2' ' HA ' ' C' ' 773' ' ' ILE . 19.1 ptp -65.99 -46.43 78.06 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 115.908 -0.587 . . . . 73.4 110.613 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.605 HD23 HD21 ' C' ' 795' ' ' LEU . 6.9 mp -59.44 -37.04 77.11 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 118.052 0.387 . . . . 72.35 111.586 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' C' ' 781' ' ' VAL . 7.3 tpt180 -68.14 -37.1 80.69 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.595 -0.729 . . . . 73.03 110.356 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 66' ' ' ALA . 61.6 ttp -61.99 -51.29 68.65 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.739 -0.664 . . . . 65.43 110.754 174.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . 0.494 ' HZ ' HG21 ' A' ' 68' ' ' ILE . 37.8 m-85 -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.978 0.511 . . . . 54.53 111.281 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.529 HG11 HG12 ' C' ' 790' ' ' ILE . 2.7 p -75.19 -36.65 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 116.173 -0.467 . . . . 65.35 111.113 -177.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 8.9 p -74.54 -33.91 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.131 0.423 . . . . 63.12 111.454 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 17.7 p -69.53 -21.87 63.62 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 54.54 112.522 -176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.35 -175.51 14.01 Favored Glycine 0 N--CA 1.469 0.846 0 CA-C-O 119.796 -0.447 . . . . 74.33 113.124 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.49 -22.69 12.09 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.941 2.427 . . . . 63.3 112.183 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' C' ' 750' ' ' GLU . . . 25.93 -88.94 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.792 2.437 . . . . 72.44 115.915 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.17 30.03 0.87 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.73 0.812 . . . . 70.53 109.705 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 61.84 48.51 5.35 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.659 1.183 . . . . 62.13 112.654 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 72.81 119.04 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.416 1.487 . . . . 54.42 112.517 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.529 HG12 HG11 ' C' ' 781' ' ' VAL . 26.8 pt -65.13 174.36 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.318 1.047 . . . . 72.44 111.186 173.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.95 160.12 42.28 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.077 -0.712 . . . . 62.04 109.077 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.09 -48.84 78.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.206 0.602 . . . . 61.43 112.492 -174.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.17 69.69 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.807 0.731 . . . . 73.44 111.561 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.77 -34.47 52.31 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.105 0.479 . . . . 72.01 110.442 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.605 HD21 HD23 ' C' ' 777' ' ' LEU . 0.4 OUTLIER -83.84 -53.04 5.88 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.719 0.808 . . . . 61.31 109.371 -173.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -49.73 -41.18 43.1 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.315 0.646 . . . . 74.31 109.608 164.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -52.55 -44.98 59.83 Favored Glycine 0 C--N 1.356 1.678 0 O-C-N 124.163 0.914 . . . . 52.45 114.008 170.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 15.9 t80 -61.03 -50.8 71.89 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.429 0.691 . . . . 72.43 110.924 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' C' ' 773' ' ' ILE . 3.9 mm? -61.47 -50.84 71.16 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.059 -0.519 . . . . 71.53 111.703 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -64.68 -31.77 73.14 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.049 0.843 . . . . 63.53 109.759 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' C' ' 801' ' ' LYS . 0.1 OUTLIER -61.5 -56.49 19.51 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 107.843 -1.169 . . . . 74.54 107.843 173.603 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 75.6 mmtt -53.67 -40.23 65.76 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 124.312 1.008 . . . . 51.44 112.604 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.1 -45.66 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.828 0.451 . . . . 71.34 110.681 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -78.05 -10.0 59.4 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.919 0.488 . . . . 72.32 111.725 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -92.48 -4.65 53.3 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.77 1.228 . . . . 65.45 111.547 170.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.26 14.44 9.72 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.297 1.439 . . . . 63.21 112.355 -176.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -85.58 -11.41 54.08 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.233 1.013 . . . . 65.1 110.998 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.6 OUTLIER -149.16 150.2 32.27 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.369 0.668 . . . . 55.32 109.37 -176.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' C' ' 818' ' ' PRO . 68.7 t -105.3 143.9 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.347 1.059 . . . . 71.43 110.403 176.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -121.66 115.84 23.48 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.505 1.122 . . . . 63.55 108.136 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 23.3 t -91.06 -144.66 0.18 Allowed 'General case' 0 C--O 1.244 0.793 0 N-CA-C 108.181 -1.044 . . . . 75.12 108.181 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.28 77.64 1.33 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.459 0.572 . . . . 44.14 110.262 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 73.84 20.7 79.76 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.391 -0.822 . . . . 65.11 113.555 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 32.3 m -133.42 150.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.095 0.558 . . . . 75.1 110.513 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -100.98 147.27 26.37 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.206 0.602 . . . . 64.11 110.974 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' C' ' 762' ' ' LEU . 11.1 ptt180 -159.74 146.09 16.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.0 -1.0 . . . . 54.25 109.431 176.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.798 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 1.9 tp -80.31 138.64 52.06 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 117.96 0.345 . . . . 70.25 110.202 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . 0.402 ' HD3' HG23 ' C' ' 809' ' ' VAL . 38.2 Cg_endo -70.15 128.16 15.29 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.919 1.746 . . . . 73.2 110.878 170.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.1 154.92 38.92 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.909 0.884 . . . . 61.24 108.891 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.09 159.71 30.36 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.008 0.523 . . . . 72.34 111.302 -179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 50.1 t -166.08 -52.88 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.045 0.938 . . . . 61.12 109.08 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.251 1.156 0 N-CA-C 108.307 -0.997 . . . . 53.33 108.307 -175.818 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.53 -0.628 . . . . 54.15 111.53 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.79 147.28 22.81 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.496 0.718 . . . . 74.15 109.326 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.526 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -93.93 155.89 16.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.11 0.564 . . . . 63.13 109.551 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -126.34 152.4 33.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 108.418 -0.956 . . . . 72.13 108.418 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -106.6 114.12 28.04 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.934 -1.506 . . . . 75.43 106.934 166.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 p -105.44 110.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 122.126 0.965 . . . . 71.41 108.535 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' HB2' HG22 ' B' ' 168' ' ' ILE . 12.4 m-20 -91.0 104.33 16.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 75.25 110.699 -166.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.0 p -89.52 108.58 19.74 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.279 -1.008 . . . . 74.34 108.279 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.49 136.87 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.715 0.806 . . . . 73.0 110.068 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.23 118.65 21.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.203 1.001 . . . . 74.22 109.148 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -109.97 116.5 31.71 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.136 -1.061 . . . . 75.34 108.136 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -148.7 129.34 14.08 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.087 0.47 . . . . 63.15 111.25 -171.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 8.6 m -88.64 115.99 26.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.508 -0.769 . . . . 72.25 110.098 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 12.9 mt -93.26 157.58 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 108.709 -0.849 . . . . 52.41 108.709 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -120.64 121.82 39.14 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.089 -1.078 . . . . 75.51 108.089 174.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 105' ' ' VAL . 1.2 pt? -137.66 163.88 30.17 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.231 0.612 . . . . 74.43 110.068 -177.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -107.81 137.08 46.46 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.483 0.713 . . . . 75.2 109.404 170.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.1 163.05 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 114.379 -1.282 . . . . 75.45 108.352 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -115.63 148.54 41.29 Favored Pre-proline 0 N--CA 1.488 1.462 0 CA-C-N 118.389 0.54 . . . . 50.14 109.937 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.0 Cg_endo -65.3 -26.47 56.26 Favored 'Trans proline' 0 C--N 1.382 2.307 0 C-N-CA 122.744 2.296 . . . . 72.42 112.672 -175.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p -83.18 -16.29 47.21 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.507 0.723 . . . . 70.11 111.856 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.07 159.6 34.41 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 109.673 -0.492 . . . . 74.0 109.673 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -89.17 160.01 17.19 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 123.834 0.709 . . . . 65.0 110.548 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.57 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 31.6 mm -69.76 -25.29 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 CA-C-N 114.336 -1.302 . . . . 75.14 110.089 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 27' ' ' LYS . 12.7 pt-20 -60.49 -23.27 64.37 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 124.171 0.988 . . . . 72.41 111.551 -176.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.8 -54.65 31.81 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.139 0.899 . . . . 62.44 109.598 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -47.24 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.003 -0.999 . . . . 54.02 109.733 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -58.42 -45.09 89.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.555 1.542 . . . . 64.41 111.393 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.76 -39.24 73.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.118 -0.492 . . . . 64.52 110.932 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 53.6 mtmt -64.72 -51.15 63.93 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 123.686 0.616 . . . . 64.35 111.047 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.558 ' HB ' HD11 ' A' ' 36' ' ' ILE . 13.9 pt -67.94 -30.14 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 117.686 0.221 . . . . 75.51 110.925 -177.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.659 HE21 ' HA ' ' A' ' 37' ' ' PRO . 35.1 tt0 -64.7 -45.97 84.37 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 110.382 -0.229 . . . . 64.4 110.382 169.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.59 -45.63 86.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.56 0.744 . . . . 72.32 110.877 -174.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 66.3 mmtt -84.44 -51.22 7.1 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.298 -0.865 . . . . 54.12 110.999 -172.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.78 -4.31 23.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.172 0.589 . . . . 64.1 112.268 -167.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.52 29.54 65.7 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.45 0.468 . . . . 34.12 114.151 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.558 HD11 ' HB ' ' A' ' 30' ' ' ILE . 23.7 pt -102.58 102.34 25.51 Favored Pre-proline 0 CA--C 1.564 1.513 0 C-N-CA 123.474 0.709 . . . . 72.42 111.101 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.659 ' HA ' HE21 ' A' ' 31' ' ' GLN . 22.5 Cg_exo -66.38 146.12 79.51 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.717 2.278 . . . . 75.31 111.753 176.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -45.86 -39.73 19.3 Favored 'Trans proline' 0 C--N 1.387 2.603 0 C-N-CA 124.771 3.648 . . . . 64.14 114.394 -177.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.63 -39.17 91.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.631 0.772 . . . . 63.11 112.254 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -83.16 -23.65 32.84 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.401 0.62 . . . . 74.15 111.594 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -76.56 129.24 36.17 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.858 1.663 . . . . 73.34 109.526 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -132.38 70.79 1.46 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.814 0.846 . . . . 61.42 109.229 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -83.25 127.26 33.49 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.121 0.486 . . . . 41.2 110.027 177.134 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.629 HG12 ' HG3' ' A' ' 49' ' ' GLN . 22.8 mt -125.28 139.13 52.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.808 0 C-N-CA 123.583 0.753 . . . . 72.21 109.524 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -127.5 94.54 4.0 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.682 1.193 . . . . 62.31 109.039 -173.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.42 36.69 27.62 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.751 0.821 . . . . 74.43 111.201 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 -1.2 62.26 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 115.252 -0.885 . . . . 33.45 114.734 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -105.67 114.18 28.19 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.412 0.685 . . . . 64.02 110.763 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.633 ' NE2' HD21 ' C' ' 753' ' ' LEU . 24.7 mp0 -84.03 113.48 21.05 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 108.255 -1.017 . . . . 54.22 108.255 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 43' ' ' LEU . 22.1 mt -77.12 113.7 15.13 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.385 -0.37 . . . . 73.02 111.296 -167.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HB3' ' HG2' ' A' ' 54' ' ' ARG . 3.0 tm-20 -80.18 129.73 34.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 105.652 -1.981 . . . . 73.43 105.652 173.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.57 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.4 p-10 -65.73 -26.77 67.89 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 112.439 0.533 . . . . 42.32 112.439 -165.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.67 11.01 62.86 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 119.694 -0.503 . . . . 40.24 113.601 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.531 ' HG2' ' HB3' ' A' ' 51' ' ' GLU . 20.7 mmt85 -93.96 174.76 7.0 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 109.041 -0.726 . . . . 73.34 109.041 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.5 p -101.18 169.66 8.77 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 109.105 -0.702 . . . . 74.13 109.105 172.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.1 mm? -69.26 -36.46 77.15 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 109.093 -0.706 . . . . 74.43 109.093 174.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . 14.8 t -68.1 -26.95 66.07 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.924 0.889 . . . . 75.43 110.986 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.89 -28.63 51.96 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.949 0.9 . . . . 63.05 111.516 175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.488 ' HB2' HG13 ' A' ' 61' ' ' ILE . 90.1 m-85 -110.04 2.9 19.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.334 0.654 . . . . 73.44 112.718 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.66 32.78 13.62 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.788 0.804 . . . . 72.21 110.475 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 56' ' ' LEU . 96.2 mt -64.65 116.28 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.96 0.904 . . . . 65.43 109.515 177.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -123.26 -177.6 3.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.631 1.173 . . . . 64.4 109.659 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -70.31 141.93 52.29 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 120.889 0.376 . . . . 65.42 111.838 -172.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.8 31.47 21.26 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 125.402 1.689 . . . . 74.25 112.361 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -83.76 138.89 33.05 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.406 -0.815 . . . . 73.35 109.444 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.63 107.87 19.85 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.399 0.679 . . . . 65.24 111.576 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' B' ' 105' ' ' VAL . 2.6 tt -95.46 135.12 37.5 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.989 -1.486 . . . . 73.55 106.989 174.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.485 HD12 ' HE3' ' C' ' 776' ' ' MET . 2.6 tt -114.77 125.59 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 N-CA-C 108.739 -0.837 . . . . 73.31 108.739 170.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HB3' ' HA ' ' B' ' 107' ' ' THR . 37.8 tp -87.62 127.77 35.27 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.133 -0.691 . . . . 74.0 109.133 172.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' C' ' 757' ' ' TYR . 4.0 mp -115.41 158.05 23.04 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.28 -1.378 . . . . 74.33 107.28 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.49 170.14 8.79 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 109.568 -0.53 . . . . 52.42 109.568 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.9 m -32.97 107.2 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.618 1.567 . . . . 71.01 113.38 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' C' ' 763' ' ' THR . 0.5 OUTLIER -72.88 -32.84 65.66 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.812 -0.631 . . . . 74.15 111.564 177.038 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HG2' HD13 ' A' ' 73' ' ' LEU . 27.4 mmt180 . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 123.433 0.693 . . . . 75.04 109.761 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.129 -0.389 . . . . 74.4 112.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.431 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -99.74 147.62 25.25 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.257 0.551 . . . . 74.34 109.913 175.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.41 152.7 22.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.597 -0.729 . . . . 70.05 109.581 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.91 157.68 20.56 Favored 'Isoleucine or valine' 0 C--O 1.247 0.938 0 C-N-CA 123.248 0.619 . . . . 63.04 109.586 168.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 26.8 m-85 -111.8 110.51 20.9 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.199 -1.037 . . . . 75.03 108.199 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 15' ' ' LEU . 29.7 m -103.4 107.17 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-O 121.727 0.775 . . . . 74.3 110.297 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 32.5 t0 -81.99 98.31 8.53 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.618 -0.882 . . . . 55.41 108.618 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.587 ' HA ' ' HB3' ' A' ' 69' ' ' LEU . 9.5 t -97.33 137.01 36.98 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 115.795 -0.639 . . . . 73.32 112.439 -168.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.541 HG12 HD21 ' C' ' 765' ' ' LEU . 27.5 m -95.4 130.9 43.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.612 -1.176 . . . . 73.13 109.738 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -128.89 98.32 4.92 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.052 -0.721 . . . . 74.02 109.052 171.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 45.7 t-105 -102.7 127.52 49.79 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.91 1.284 . . . . 74.32 108.814 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.39 109.99 6.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.499 0.72 . . . . 70.25 109.804 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 60.5 m -81.28 109.97 16.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.495 0.718 . . . . 73.21 109.9 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mm -95.99 169.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 108.242 -1.021 . . . . 73.2 108.242 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 35.5 m -132.32 138.12 47.68 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.559 -0.713 . . . . 73.23 110.553 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -141.51 167.38 22.29 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.093 0.957 . . . . 71.13 109.062 171.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 1.4 tm-20 -125.02 132.13 53.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 107.144 -1.428 . . . . 74.14 107.144 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.35 164.09 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 117.865 0.302 . . . . 55.53 111.314 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -104.31 151.42 39.09 Favored Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 109.364 -0.606 . . . . 72.21 109.364 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.41 -34.37 34.71 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.447 2.098 . . . . 72.15 112.096 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -75.74 -15.75 60.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 122.829 0.452 . . . . 70.43 111.802 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.67 148.06 50.96 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.983 -0.377 . . . . 73.32 109.983 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 155' ' ' THR . 7.7 p -77.9 161.95 27.2 Favored 'General case' 0 C--O 1.242 0.678 0 O-C-N 123.791 0.682 . . . . 64.13 110.035 169.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.56 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 46.5 mm -64.94 -27.76 43.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.262 -0.881 . . . . 71.33 109.447 172.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -43.35 -45.34 6.0 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.505 1.522 . . . . 74.45 111.721 170.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 55.1 m-80 -55.87 -54.35 45.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.702 0.626 . . . . 74.33 110.737 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.18 -52.01 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.087 0.955 . . . . 73.4 111.216 -175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.12 73.54 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.066 -0.515 . . . . 54.44 111.808 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.99 60.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.585 0.354 . . . . 72.13 111.407 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 9.2 mmpt? -74.57 -49.06 23.27 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.998 -0.371 . . . . 75.41 109.998 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.544 ' HB ' HD12 ' B' ' 136' ' ' ILE . 16.4 pt -67.86 -27.1 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.27 0 C-N-CA 121.905 0.082 . . . . 64.53 111.103 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -71.52 -41.64 68.97 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.356 0.662 . . . . 75.0 111.256 170.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.91 -50.02 75.39 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 121.448 0.642 . . . . 53.55 110.002 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -75.94 -70.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.441 -1.254 . . . . 74.43 111.034 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -96.39 -10.59 27.29 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.139 0.576 . . . . 73.02 112.271 -168.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.96 31.96 54.29 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 120.053 -0.304 . . . . 75.2 113.298 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.544 HD12 ' HB ' ' B' ' 130' ' ' ILE . 52.5 mt -75.59 111.18 13.04 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 123.222 0.609 . . . . 74.43 110.033 -179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' B' ' 141' ' ' GLN . 10.8 Cg_exo -71.9 123.21 9.14 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.411 2.741 . . . . 73.34 111.937 -174.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -56.29 -28.85 73.84 Favored 'Trans proline' 0 C--N 1.389 2.674 0 C-N-CA 123.891 3.061 . . . . 64.44 112.593 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.015 -1.448 . . . . 75.04 110.838 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.454 ' HA ' ' HB ' ' B' ' 172' ' ' THR . 24.7 mt-30 -109.25 20.71 17.99 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.989 0.915 . . . . 71.0 111.306 -172.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 137' ' ' PRO . 24.9 tt0 -102.38 100.02 10.13 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.911 0.884 . . . . 60.02 109.698 -171.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' B' ' 173' ' ' LEU . 60.2 ttt-85 -87.74 94.03 9.62 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 108.342 -0.984 . . . . 72.41 108.342 173.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 150' ' ' LEU . 4.1 mp -77.47 143.88 38.18 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 108.351 -0.981 . . . . 74.53 108.351 174.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.06 119.61 11.7 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 107.987 -1.116 . . . . 65.12 107.987 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.597 ' HB2' HD21 ' B' ' 150' ' ' LEU . 28.1 t80 -133.35 100.42 4.83 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 107.991 -1.114 . . . . 65.41 107.991 -177.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 50.45 32.77 6.87 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.036 0.835 . . . . 71.44 110.995 -171.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.29 2.58 65.8 Favored Glycine 0 C--N 1.358 1.775 0 N-CA-C 115.016 0.766 . . . . 73.2 115.016 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -111.12 127.84 55.7 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 117.826 0.813 . . . . 72.2 110.145 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.96 137.52 38.36 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.543 -0.91 . . . . 75.42 108.543 170.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' B' ' 145' ' ' PHE . 1.1 mm? -91.21 103.09 15.81 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.439 -0.948 . . . . 73.44 108.439 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.44 131.95 47.71 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 109.169 -0.678 . . . . 53.22 109.169 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 8.7 p-10 -62.0 -28.83 69.85 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.361 1.064 . . . . 71.21 113.03 -169.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -82.31 3.42 81.54 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 119.718 -0.49 . . . . 51.01 114.076 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.72 176.59 6.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.018 0.927 . . . . 74.3 108.842 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 3.5 p -112.51 169.4 8.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.24 0.616 . . . . 73.24 110.426 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -38.95 88.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.865 -1.061 . . . . 71.01 109.147 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.2 t -62.93 -38.45 91.08 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.597 0.759 . . . . 61.11 110.391 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.93 -23.88 55.43 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.887 0.875 . . . . 75.02 111.688 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -111.13 0.64 16.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.56 0.744 . . . . 73.13 112.579 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.48 55.91 8.02 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 122.298 1.047 . . . . 64.04 110.125 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 10.4 mm -69.35 117.77 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 114.616 -1.174 . . . . 64.11 109.974 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . 0.509 ' HG3' ' HB3' ' B' ' 165' ' ' SER . 11.4 pt20 -87.43 150.55 23.71 Favored 'General case' 0 C--O 1.254 1.299 0 C-N-CA 123.393 0.677 . . . . 74.33 110.026 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.429 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.97 144.86 32.26 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.872 -0.788 . . . . 64.21 108.872 170.087 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.258 0.2 OUTLIER 54.8 24.08 5.41 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.665 1.586 . . . . 65.44 113.417 -177.315 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' B' ' 162' ' ' GLN . 64.7 p -60.64 138.11 58.1 Favored 'General case' 0 C--N 1.371 1.538 0 CA-C-O 119.668 -0.206 . . . . 75.45 111.28 168.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.97 34.48 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.413 -0.588 . . . . 72.11 109.413 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 109.09 7.92 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.254 -1.017 . . . . 42.41 108.254 -171.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 6' ' ' ASP . 3.5 pt -98.84 141.4 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.109 0 CA-C-N 118.816 0.735 . . . . 72.25 111.019 -170.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 91.7 mt -106.43 113.48 27.02 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 124.999 1.32 . . . . 65.12 109.283 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.85 159.58 16.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.336 1.054 . . . . 73.03 109.391 170.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.19 154.44 39.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.646 -0.501 . . . . 52.44 109.646 168.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.454 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.4 t -42.28 114.01 0.51 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.247 1.419 . . . . 70.23 113.204 -175.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . 0.516 ' HB3' ' HD2' ' B' ' 142' ' ' ARG . 33.9 tp -172.31 171.97 4.61 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.711 1.204 . . . . 70.45 107.818 -172.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.218 0 N-CA-C 108.662 -0.866 . . . . 75.34 108.662 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.764 -0.535 . . . . 74.11 111.764 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 23.5 m -102.44 102.75 13.09 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.789 0.836 . . . . 50.43 109.391 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -148.92 139.72 22.8 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.518 0.727 . . . . 75.12 109.827 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 61.3 p -178.79 -34.79 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.99 1.316 . . . . 74.31 109.008 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.61 -86.75 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.246 1.418 . . . . 75.04 111.543 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 42.1 m -139.42 -177.21 4.83 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 72.42 110.938 -173.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -156.51 107.08 0.31 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.92 -1.672 . . . . 74.31 108.92 174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 63.5 mtm -86.83 -30.33 21.56 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.471 0.545 . . . . 72.43 112.471 -167.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -158.68 101.6 1.66 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.95 0.9 . . . . 61.44 109.204 -175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 20.2 m -71.32 71.72 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.658 1.183 . . . . 61.33 110.522 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -179.21 -47.18 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.025 2.13 . . . . 65.34 106.779 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . 0.437 ' HA ' ' HE2' ' C' ' 747' ' ' LYS . . . -86.38 -49.71 7.44 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 114.241 -1.345 . . . . 73.21 112.142 -175.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -52.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.365 1.281 0 O-C-N 124.75 1.281 . . . . 43.22 111.108 -170.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 0.4 OUTLIER -45.92 -51.94 12.41 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.382 1.473 . . . . 73.45 113.589 -176.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' C' ' 744' ' ' ALA . 38.9 mtmt -60.19 -56.4 22.07 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.65 0.738 . . . . 44.22 111.101 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -48.06 -42.96 29.94 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 113.754 -1.566 . . . . 60.14 111.751 172.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' C' ' 753' ' ' LEU . 42.9 mt-10 -70.96 -29.6 65.65 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.379 -0.828 . . . . 73.54 110.858 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 14.6 mm-40 -65.98 -43.91 86.41 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.944 -0.762 . . . . 75.03 108.944 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.7 -47.6 84.0 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.298 0.999 . . . . 74.44 110.365 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.42 -29.93 69.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.677 -1.147 . . . . 61.43 109.797 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . 0.633 HD21 ' NE2' ' A' ' 49' ' ' GLN . 1.3 tm? -75.75 -33.39 60.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.029 0.932 . . . . 75.02 110.092 179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -70.3 -31.73 69.18 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.198 -0.668 . . . . 73.03 109.198 172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.405 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 26.0 t-105 -74.72 -31.87 61.98 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.16 -0.473 . . . . 73.04 110.792 172.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 37.7 m -67.36 -32.71 73.82 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.887 -0.782 . . . . 70.25 108.887 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.445 ' HA ' HD21 ' A' ' 70' ' ' LEU . 10.3 m-85 -62.49 -67.95 0.37 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 115.707 -0.679 . . . . 75.53 109.636 170.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.47 -30.91 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.025 0 O-C-N 123.563 0.539 . . . . 64.14 111.981 -166.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.473 ' HA ' HD11 ' C' ' 817' ' ' LEU . 7.3 tt0 -76.25 -54.88 6.15 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.134 -0.354 . . . . 70.32 110.833 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 73' ' ' LEU . . . -70.43 -19.09 63.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.95 0.5 . . . . 55.32 111.876 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.677 ' HB2' HD12 ' C' ' 765' ' ' LEU . 26.6 ptm -85.19 -53.02 5.52 Favored 'General case' 0 CA--C 1.556 1.175 0 CA-C-O 118.796 -0.621 . . . . 71.31 110.036 170.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.491 ' HB3' ' HG ' ' C' ' 817' ' ' LEU . 24.2 mt -67.83 -17.13 64.41 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 118.966 0.803 . . . . 74.43 112.779 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 73' ' ' LEU . 15.2 t -64.45 -18.49 64.8 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.555 0.693 . . . . 65.32 110.315 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.09 -44.74 3.9 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.179 0.992 . . . . 64.25 109.949 171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' C' ' 761' ' ' MET . 33.5 mt -97.03 25.99 5.0 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.438 1.095 . . . . 64.03 112.461 -164.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.423 ' HA ' HD22 ' C' ' 762' ' ' LEU . 5.7 pt-20 -64.24 76.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.655 0.983 . . . . 62.55 113.655 -170.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 26.3 m -174.52 20.21 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.328 1.451 . . . . 60.52 110.511 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.547 HD23 HH11 ' C' ' 772' ' ' ARG . 98.5 mt -104.41 118.98 37.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.946 -0.471 . . . . 72.24 110.759 -166.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . 0.6 ' HA ' ' HA ' ' C' ' 814' ' ' VAL . 23.0 t -66.28 162.53 19.93 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 123.593 0.757 . . . . 60.22 111.325 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.412 ' HB2' ' HE2' ' C' ' 815' ' ' TYR . 0.2 OUTLIER -54.5 -43.89 72.22 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 114.334 -1.303 . . . . 73.43 110.292 178.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.24 -44.33 75.39 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.801 0.84 . . . . 72.04 111.994 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.547 HH11 HD23 ' C' ' 768' ' ' LEU . 76.3 mtt180 -64.87 -59.75 3.84 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.175 -0.92 . . . . 71.04 109.959 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.436 HD11 HD11 ' C' ' 799' ' ' LEU . 2.6 pp -66.58 -20.44 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.357 -1.292 . . . . 64.23 110.858 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.85 -57.94 7.53 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.487 0.715 . . . . 73.11 109.538 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -56.43 -38.56 71.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.824 0.702 . . . . 71.24 111.223 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . 0.485 ' HE3' HD12 ' A' ' 68' ' ' ILE . 68.7 mtp -62.98 -59.1 5.29 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.473 -0.785 . . . . 65.4 111.724 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.491 HD22 HD13 ' C' ' 795' ' ' LEU . 7.3 mp -60.61 -32.1 71.24 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.242 0.617 . . . . 74.42 112.157 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -58.65 -53.43 58.4 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 123.988 0.805 . . . . 63.13 109.697 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' C' ' 780' ' ' PHE . 1.3 tmt? -50.2 -56.57 10.51 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.825 0.703 . . . . 73.31 110.37 173.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . 0.452 ' CD1' ' SD ' ' C' ' 779' ' ' MET . 16.7 m-85 -58.99 -33.39 70.64 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 113.376 0.88 . . . . 75.44 113.376 -176.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.463 HG21 ' H ' ' C' ' 790' ' ' ILE . 3.6 p -88.94 -29.88 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 112.145 0.424 . . . . 73.42 112.145 -175.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.98 -26.8 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 122.583 0.353 . . . . 71.41 111.154 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 20.3 p -65.23 -24.81 67.44 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.43 0.456 . . . . 75.11 111.145 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -116.12 170.46 13.35 Favored Glycine 0 CA--C 1.524 0.637 0 O-C-N 123.918 0.761 . . . . 63.01 111.889 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -82.81 4.68 6.92 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 122.802 2.335 . . . . 64.0 111.878 169.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.43 112.87 0.65 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.963 1.705 . . . . 70.21 112.075 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 13.6 mt 66.34 9.02 6.09 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.792 1.237 . . . . 71.42 112.237 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 54.87 38.97 31.23 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.442 1.097 . . . . 40.42 111.446 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 73.74 125.63 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.175 1.79 . . . . 74.43 111.483 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.463 ' H ' HG21 ' C' ' 781' ' ' VAL . 44.6 pt -74.23 156.71 6.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 123.34 0.656 . . . . 71.11 110.631 172.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -109.96 173.01 6.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.613 1.165 . . . . 72.01 108.943 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.55 -49.82 66.84 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.951 1.3 . . . . 63.42 111.631 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.47 68.29 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.561 0.344 . . . . 63.43 111.281 -178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.11 -51.73 43.03 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.154 0.582 . . . . 74.51 110.127 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.491 HD13 HD22 ' C' ' 777' ' ' LEU . 16.8 tp -68.2 -53.23 26.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.406 -0.815 . . . . 71.4 111.198 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.36 -40.86 87.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.543 0.737 . . . . 74.53 110.619 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.41 -38.62 96.04 Favored Glycine 0 C--N 1.351 1.395 0 O-C-N 123.913 0.758 . . . . 62.33 113.364 172.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.405 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 31.2 t80 -64.81 -43.89 91.66 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.469 0.708 . . . . 75.05 110.289 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.436 HD11 HD11 ' C' ' 773' ' ' ILE . 52.6 mt -69.88 -42.27 73.66 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.709 1.204 . . . . 52.42 111.384 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.24 -47.82 83.94 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.419 1.088 . . . . 74.22 109.495 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -51.05 71.02 Favored 'General case' 0 C--O 1.211 -0.936 0 O-C-N 124.68 1.238 . . . . 71.13 110.355 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' C' ' 808' ' ' LEU . 0.0 OUTLIER -56.78 -41.57 77.91 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.907 1.283 . . . . 54.44 113.551 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.7 t -70.63 -41.42 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.664 0.786 . . . . 50.24 110.393 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -78.45 -10.4 59.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.309 0.644 . . . . 62.34 111.483 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -86.58 -4.37 59.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.202 1.001 . . . . 71.33 108.985 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 70.54 12.03 7.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.755 1.622 . . . . 73.42 112.603 174.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.6 8.97 23.02 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.326 0.651 . . . . 74.43 111.389 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 1.2 tt -145.85 143.3 29.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 106.725 -1.583 . . . . 73.52 106.725 169.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 39.8 t -112.62 124.82 69.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 C-N-CA 123.495 0.718 . . . . 65.35 109.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -93.39 107.12 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.83 -1.174 . . . . 73.25 107.83 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.42 ' HB3' HG22 ' C' ' 814' ' ' VAL . 47.6 t -79.4 -153.32 0.07 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 108.208 -1.034 . . . . 70.12 108.208 176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -67.94 77.63 0.22 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.719 0.69 . . . . 70.42 110.417 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.46 13.14 77.45 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.066 -0.97 . . . . 54.25 114.361 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.6 ' HA ' ' HA ' ' C' ' 769' ' ' SER . 11.4 m -124.47 147.7 28.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 117.855 0.827 . . . . 64.0 110.183 175.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . 0.412 ' HE2' ' HB2' ' C' ' 770' ' ' LEU . 92.0 m-85 -94.86 134.39 37.55 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.291 0.636 . . . . 70.12 110.226 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.412 ' HB2' ' HB2' ' C' ' 766' ' ' GLU . 5.1 ppt_? -154.66 142.75 20.26 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.772 -1.104 . . . . 72.44 108.616 -176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.491 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 73.0 mt -85.52 142.26 37.29 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 112.025 0.38 . . . . 54.22 112.025 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.73 118.64 4.21 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.877 2.385 . . . . 71.42 111.866 172.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -74.37 -16.66 60.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.928 0.491 . . . . 65.11 111.129 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -71.15 84.79 0.74 Allowed 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 121.824 0.821 . . . . 71.04 110.443 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 60.7 m -85.62 -47.29 9.97 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.258 -0.883 . . . . 73.13 109.69 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 123.889 0.876 . . . . 51.54 109.434 -178.444 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 111.857 -0.497 . . . . 64.42 111.857 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.62 149.2 31.1 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.169 0.588 . . . . 72.12 110.303 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -97.6 149.84 21.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.837 -0.801 . . . . 73.21 108.837 -173.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' B' ' 165' ' ' SER . 25.4 pt -137.93 153.53 27.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 CA-C-O 121.265 0.555 . . . . 71.12 110.521 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' HB3' HG23 ' B' ' 112' ' ' THR . 22.6 m-85 -106.64 108.15 19.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.152 -1.385 . . . . 74.13 108.167 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.638 HG11 HG21 ' B' ' 130' ' ' ILE . 35.1 t -96.77 97.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.45 -0.944 . . . . 63.0 108.45 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.03 109.21 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.327 -0.62 . . . . 43.51 109.327 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 7.7 t -90.05 142.72 27.44 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.745 -0.661 . . . . 41.33 109.439 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.58 120.0 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 122.081 0.943 . . . . 63.44 108.967 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -101.76 84.75 2.6 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.888 -1.051 . . . . 52.11 108.713 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.52 ' HB2' HD11 ' C' ' 765' ' ' LEU . 8.5 t-105 -100.72 103.14 14.38 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 105.762 -1.94 . . . . 73.32 105.762 168.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -152.7 131.78 12.65 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.483 0.549 . . . . 72.4 112.483 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.514 HG22 ' HB3' ' B' ' 104' ' ' PHE . 5.2 m -92.8 107.27 19.09 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.394 -1.275 . . . . 75.1 109.11 176.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.9 mt -94.42 170.45 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 C-N-CA 124.754 1.222 . . . . 72.24 109.244 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.9 m -125.65 133.88 52.05 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.391 0.676 . . . . 71.1 110.257 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -136.65 169.32 17.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.665 1.186 . . . . 70.13 108.528 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' B' ' 102' ' ' GLN . 31.0 mt-10 -120.2 145.61 46.82 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.569 0.748 . . . . 52.54 110.49 173.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -154.36 167.51 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 CA-C-N 114.741 -1.118 . . . . 74.04 110.622 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . 40.1 mm-40 -100.59 148.32 34.82 Favored Pre-proline 0 C--N 1.362 1.146 0 C-N-CA 123.544 0.738 . . . . 74.24 110.593 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HD3' ' HA3' ' B' ' 100' ' ' GLY . 54.0 Cg_endo -67.38 -32.82 31.6 Favored 'Trans proline' 0 C--N 1.371 1.745 0 C-N-CA 122.995 2.463 . . . . 32.1 112.433 -178.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 m -90.87 -3.29 57.47 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.222 -0.899 . . . . 72.52 111.813 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.67 ' HB2' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -77.97 170.72 16.12 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.847 0.459 . . . . 73.55 109.995 -178.299 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -89.3 163.72 15.23 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.741 0.781 . . . . 71.11 112.432 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.495 HD12 HD12 ' A' ' 50' ' ' LEU . 48.0 mm -78.87 -32.31 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 114.407 -1.27 . . . . 65.11 110.51 176.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -62.01 -30.12 70.74 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.378 0.671 . . . . 52.52 110.979 176.371 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.7 t30 -56.96 -59.18 5.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.969 -1.014 . . . . 75.51 109.896 170.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD11 ' A' ' 56' ' ' LEU . 44.2 t -58.94 -40.85 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.366 1.066 . . . . 54.32 110.828 -177.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HD3' ' HG3' ' A' ' 38' ' ' PRO . 3.7 tmmm? -57.36 -49.25 76.77 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.079 1.351 . . . . 62.55 110.633 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.13 70.27 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.836 -0.62 . . . . 64.31 111.102 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 32.7 mmtp -65.85 -44.95 83.92 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.113 0.565 . . . . 74.44 111.189 178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HB ' HD12 ' A' ' 36' ' ' ILE . 19.9 pt -73.27 -30.15 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 110.475 -0.194 . . . . 70.21 110.475 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -71.48 -27.35 63.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.05 0.54 . . . . 54.2 110.627 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.55 -51.31 10.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.873 0.869 . . . . 73.44 110.611 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -89.69 -46.91 8.29 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.422 -0.808 . . . . 63.02 111.633 -170.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.41 -22.62 17.04 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 122.875 0.47 . . . . 74.44 110.996 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 23.47 61.05 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.16 0.288 . . . . 52.44 113.694 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.496 HG21 HD22 ' A' ' 69' ' ' LEU . 83.0 mt -73.26 115.05 37.09 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 123.671 0.788 . . . . 75.11 110.756 -176.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 1.9 Cg_endo -83.74 108.29 1.43 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.635 2.89 . . . . 71.12 111.388 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HG3' ' HD3' ' A' ' 27' ' ' LYS . 54.9 Cg_endo -62.51 -30.76 80.11 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 123.417 2.745 . . . . 51.52 113.209 -172.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.81 -39.61 78.0 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.789 1.236 . . . . 71.03 111.412 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' OG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER -108.58 1.85 21.68 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.569 -0.741 . . . . 71.32 111.143 -178.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -124.27 98.94 5.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 108.571 -0.9 . . . . 71.52 108.571 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.533 ' NH1' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -78.34 107.28 10.84 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 109.32 -0.622 . . . . 71.23 109.32 177.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' A' ' 67' ' ' LEU . 3.5 mp -77.76 143.86 37.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.422 -0.808 . . . . 70.23 109.617 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 68.9 mt -140.49 128.2 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.029 0.932 . . . . 35.22 109.287 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HE1' ' HG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -114.33 107.26 15.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.447 1.099 . . . . 64.05 109.09 -178.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.92 28.14 17.18 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.072 0.858 . . . . 63.4 112.593 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 94.24 11.14 57.7 Favored Glycine 0 N--CA 1.476 1.322 0 N-CA-C 114.932 0.733 . . . . 64.23 114.932 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -132.06 114.01 14.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.526 0.663 . . . . 71.34 109.358 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 13.9 pt20 -66.86 137.91 56.93 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.83 0.852 . . . . 74.01 111.121 -174.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 23' ' ' ILE . 3.6 mm? -73.96 152.15 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.131 0.572 . . . . 73.33 111.553 -176.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -143.72 126.96 16.63 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.721 1.208 . . . . 63.54 108.466 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.696 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 56.1 m-20 -50.58 -41.78 54.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.575 1.55 . . . . 75.14 113.805 -169.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.02 54.52 Favored Glycine 0 C--N 1.336 0.581 0 CA-C-N 115.664 -0.698 . . . . 60.22 114.638 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.5 177.24 5.08 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.424 0.689 . . . . 73.34 109.887 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.5 p -106.19 166.4 10.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.218 1.007 . . . . 72.32 109.469 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 61' ' ' ILE . 3.8 mm? -64.24 -55.49 21.19 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.199 0.6 . . . . 65.03 110.618 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -64.26 -14.77 57.81 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.354 0.872 . . . . 74.42 113.354 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.51 -38.77 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.396 0.678 . . . . 74.33 109.894 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.502 ' HB2' HG13 ' A' ' 61' ' ' ILE . 23.4 m-85 -94.1 4.29 54.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.676 0.79 . . . . 65.51 110.992 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.94 40.25 7.47 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 122.442 1.115 . . . . 62.24 109.517 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 59' ' ' TYR . 92.8 mt -73.79 94.81 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 114.315 -1.311 . . . . 75.02 109.597 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -89.42 -172.31 3.56 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.168 -1.378 . . . . 75.44 110.18 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' B' ' 101' ' ' MET . 37.3 ttmt -70.97 151.9 44.17 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 109.654 -0.498 . . . . 60.14 109.654 173.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 51.41 22.61 1.5 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 126.89 2.076 . . . . 73.35 113.405 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.467 ' HG ' ' HE1' ' A' ' 45' ' ' PHE . 8.1 t -78.17 130.44 36.34 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 108.945 -0.761 . . . . 72.11 108.945 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.37 116.16 29.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.613 0.72 . . . . 55.21 111.528 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 43' ' ' LEU . 2.6 tt -91.01 125.88 35.93 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 106.916 -1.513 . . . . 54.12 106.916 172.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 tt -105.65 133.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.34 -0.985 . . . . 72.15 108.34 170.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD22 HG21 ' A' ' 36' ' ' ILE . 5.2 mp -107.13 113.56 27.08 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.071 -0.715 . . . . 70.51 109.071 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' C' ' 760' ' ' ALA . 4.6 mp -95.85 125.04 40.14 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.129 -1.434 . . . . 73.14 107.129 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' C' ' 764' ' ' ASN . 1.8 pp -74.77 175.11 8.28 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 111.67 0.248 . . . . 71.41 111.67 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 38.0 m -38.53 96.45 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.212 1.405 . . . . 72.1 112.608 174.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.8 tp -84.65 -44.01 13.85 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.581 -1.266 . . . . 54.54 107.581 163.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.6 tpm_? . . . . . 0 C--O 1.258 1.51 0 CA-C-N 114.735 -1.12 . . . . 64.34 108.478 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . 0.483 ' HA3' ' HD3' ' A' ' 19' ' ' PRO . . . . . . . . 0 N--CA 1.476 1.331 0 N-CA-C 112.396 -0.282 . . . . 65.51 112.396 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.426 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -152.62 168.49 25.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.3 0.64 . . . . 64.31 110.654 -176.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.602 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -119.28 125.41 49.03 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.825 -1.176 . . . . 71.2 107.825 176.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.25 174.5 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.187 0.595 . . . . 75.33 110.169 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.514 ' HB3' HG22 ' A' ' 12' ' ' THR . 22.7 m-85 -114.92 143.82 44.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.757 -0.656 . . . . 53.51 109.568 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.46 106.71 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-O 121.876 0.846 . . . . 71.21 110.131 173.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 45.5 t0 -88.42 99.83 12.57 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.817 1.247 . . . . 74.4 109.097 -177.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 9.7 t -103.77 138.7 40.01 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 123.476 0.71 . . . . 70.43 111.218 -173.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.494 HG23 HD13 ' C' ' 765' ' ' LEU . 1.8 p -108.51 108.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 114.576 -1.193 . . . . 71.43 108.44 169.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -142.13 163.14 33.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.809 0.844 . . . . 64.5 109.481 175.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -95.02 173.49 7.55 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.903 0.481 . . . . 55.34 109.866 170.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.5 114.13 4.03 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.653 -0.703 . . . . 61.54 109.457 167.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 4' ' ' PHE . 52.0 m -81.62 122.98 28.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.772 0.829 . . . . 64.23 110.351 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' B' ' 134' ' ' GLU . 15.0 mm -102.23 108.95 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.614 -0.884 . . . . 74.3 108.614 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 17.7 p -87.62 113.53 23.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 72.43 110.077 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.97 135.78 31.52 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 110.503 -0.184 . . . . 55.43 110.503 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 23.3 tt0 -79.79 141.79 35.94 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 108.992 -0.744 . . . . 73.01 108.992 173.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.98 167.46 26.19 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 C-N-CA 124.05 0.94 . . . . 73.14 108.828 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -109.18 152.3 42.48 Favored Pre-proline 0 N--CA 1.477 0.919 0 N-CA-C 109.067 -0.716 . . . . 75.11 109.067 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.56 -34.41 75.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 122.179 1.919 . . . . 72.41 111.577 173.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.8 p -82.64 -1.63 51.58 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.353 1.061 . . . . 61.01 112.312 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -80.98 164.32 22.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 73.55 110.2 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.37 166.43 11.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.639 0.775 . . . . 74.11 110.313 170.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 154' ' ' ARG . 44.6 mm -64.66 -25.91 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.109 0.964 . . . . 74.01 110.395 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.19 -25.7 67.93 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.238 0.615 . . . . 62.44 111.027 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.91 -50.91 45.47 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 123.498 0.719 . . . . 71.05 109.929 175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.08 -46.14 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.519 0.728 . . . . 74.32 109.707 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -52.08 -54.81 25.75 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.481 -1.69 . . . . 73.21 111.338 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.01 -28.02 65.16 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.78 -0.645 . . . . 61.33 111.585 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -74.92 -46.34 36.48 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 62.11 110.984 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.638 HG21 HG11 ' A' ' 5' ' ' VAL . 26.9 pt -69.24 -29.68 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 120.874 0.369 . . . . 63.11 110.344 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -73.83 -36.46 64.94 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.562 0.745 . . . . 70.22 111.315 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.14 -49.4 57.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.464 0.706 . . . . 73.3 110.725 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -75.26 -60.99 2.05 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.503 -1.226 . . . . 43.01 110.976 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' B' ' 113' ' ' ILE . 38.7 mm-40 -102.25 -9.8 20.1 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.876 -0.602 . . . . 53.45 112.346 -166.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.62 16.77 80.44 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-O 119.256 -0.747 . . . . 74.43 113.56 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.58 HD12 ' HB ' ' B' ' 130' ' ' ILE . 71.1 mt -62.6 115.99 20.44 Favored Pre-proline 0 C--N 1.361 1.07 0 C-N-CA 123.032 0.533 . . . . 62.41 109.69 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' B' ' 140' ' ' GLN . 73.0 Cg_endo -80.72 113.76 2.86 Favored 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.456 2.104 . . . . 61.23 110.229 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.51 -38.96 30.34 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.85 2.367 . . . . 51.24 113.661 -173.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -68.47 -34.02 75.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.325 -0.852 . . . . 75.22 110.705 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.532 ' HB3' ' HG2' ' B' ' 137' ' ' PRO . 0.4 OUTLIER -89.78 -24.15 21.56 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 124.103 0.961 . . . . 74.31 111.098 -177.374 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -132.87 103.8 6.26 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.209 1.004 . . . . 73.44 108.751 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -84.7 130.8 34.65 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.533 0.733 . . . . 74.3 111.38 -174.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.78 134.67 35.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.516 0.726 . . . . 63.11 110.249 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' B' ' 168' ' ' ILE . 22.1 t70 -132.03 145.49 51.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.142 0.977 . . . . 74.34 109.183 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -130.76 103.62 6.7 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.882 0.873 . . . . 65.14 109.778 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 59.41 29.44 19.0 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.252 1.021 . . . . 75.51 112.557 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.29 -8.37 69.47 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 116.133 -0.485 . . . . 72.44 113.41 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -106.62 115.62 30.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.869 0.868 . . . . 73.24 109.403 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.707 ' HG2' ' HD3' ' B' ' 174' ' ' ARG . 16.1 mt-30 -67.73 149.03 50.49 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.361 0.664 . . . . 62.35 110.425 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 65.5 mt -92.34 122.12 34.49 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.793 -0.639 . . . . 71.0 109.63 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 154' ' ' ARG . 0.7 OUTLIER -70.32 126.84 30.81 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.241 -1.392 . . . . 71.24 107.241 171.231 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -57.04 -38.87 73.83 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.755 1.222 . . . . 75.44 113.498 -166.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -104.64 21.87 35.52 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-O 119.8 -0.444 . . . . 75.03 113.218 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' B' ' 151' ' ' GLU . 17.4 ttm180 -96.02 168.88 10.35 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.563 0.745 . . . . 75.22 109.268 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 17.7 m -102.78 153.76 19.84 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 118.926 0.785 . . . . 73.34 110.947 -169.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.43 HD12 HG21 ' B' ' 161' ' ' ILE . 3.3 mm? -65.41 -40.61 93.6 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.522 0.729 . . . . 74.24 110.717 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 59.6 m -57.28 -35.62 70.03 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.157 0.583 . . . . 75.13 112.07 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.76 -33.39 66.55 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.056 0.848 . . . . 41.44 111.074 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -96.92 -9.95 27.39 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 119.103 -0.475 . . . . 64.51 111.002 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 60.24 54.09 4.15 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.465 1.126 . . . . 73.22 109.727 -174.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.43 HG21 HD12 ' B' ' 156' ' ' LEU . 3.7 mm -72.22 130.98 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 114.118 -1.401 . . . . 75.13 110.057 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.01 169.24 9.82 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 123.502 0.721 . . . . 73.02 110.831 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -56.53 143.33 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 115.362 -0.835 . . . . 55.12 108.785 171.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . 0.292 0.0 OUTLIER 53.47 28.97 8.23 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.965 1.706 . . . . 74.34 114.118 -175.211 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.449 ' HB2' HG22 ' A' ' 3' ' ' ILE . 67.5 m -64.21 111.47 2.6 Favored 'General case' 0 C--N 1.371 1.502 0 N-CA-C 110.24 -0.282 . . . . 65.25 110.24 162.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . . . -86.97 143.16 27.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.681 0.792 . . . . 42.11 110.53 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 1.4 mt -132.76 143.14 49.39 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.346 1.058 . . . . 64.31 109.91 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' B' ' 144' ' ' ASP . 9.6 tt -111.32 121.16 63.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.404 0.682 . . . . 74.25 109.884 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 5' ' ' VAL . 10.2 mp -87.59 119.56 28.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.541 -0.754 . . . . 73.54 110.52 171.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.534 ' HB2' ' HG2' ' B' ' 174' ' ' ARG . 5.8 mp -102.37 164.87 11.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.468 1.107 . . . . 75.11 108.141 169.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.449 ' HG ' HG22 ' B' ' 172' ' ' THR . 28.9 tp -65.94 163.58 16.84 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 122.846 0.458 . . . . 72.02 110.614 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 9.1 t -40.73 138.12 1.05 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.436 1.494 . . . . 71.03 112.644 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 61.53 93.65 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.605 1.162 . . . . 73.42 109.18 -169.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.707 ' HD3' ' HG2' ' B' ' 149' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 118.281 -0.866 . . . . 74.11 108.861 -176.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 111.889 -0.485 . . . . 35.24 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 40.1 t -77.54 85.5 3.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.902 -0.777 . . . . 54.31 108.902 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.76 85.59 0.83 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.858 0.863 . . . . 74.22 109.518 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 23.0 t -169.05 37.92 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 122.751 0.42 . . . . 54.35 112.084 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -59.32 145.49 43.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.88 -0.513 . . . . 60.33 110.659 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 12.7 m -56.51 -43.86 80.17 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.999 0.92 . . . . 71.22 112.182 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 87.63 -79.86 1.72 Allowed Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.78 -0.646 . . . . 61.45 111.515 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 30.5 mmt -70.0 95.47 0.95 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.412 0.625 . . . . 75.43 110.069 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . 0.816 ' HA ' ' HB2' ' C' ' 745' ' ' ASP . . . -90.43 63.34 5.57 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.027 -0.988 . . . . 71.34 110.864 -175.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 17.4 m -143.65 80.96 1.68 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.08 -0.963 . . . . 54.34 110.388 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 78.63 -50.31 0.46 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 126.015 1.726 . . . . 74.32 112.281 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.31 66.78 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.692 1.197 . . . . 61.43 111.569 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.816 ' HB2' ' HA ' ' C' ' 741' ' ' ALA . 26.8 t70 -53.7 -59.69 4.29 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.081 1.352 . . . . 55.24 112.416 -177.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' C' ' 750' ' ' GLU . 11.1 pt20 -62.56 -37.81 87.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 124.285 0.991 . . . . 71.2 111.61 -175.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.93 -43.14 75.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.091 0.957 . . . . 71.4 110.838 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -55.56 -46.84 77.1 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.985 -1.462 . . . . 73.24 111.032 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -68.86 -31.16 69.92 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.585 0.553 . . . . 72.34 110.134 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' C' ' 746' ' ' GLN . 38.4 mm-40 -60.89 -60.11 4.32 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 108.291 -1.003 . . . . 71.12 108.291 172.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.11 -38.74 53.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.863 1.265 . . . . 71.51 111.421 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 6.8 tt -73.49 -33.45 64.82 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.558 0.743 . . . . 51.14 110.377 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -43.91 83.65 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.013 -0.736 . . . . 64.55 109.013 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.56 ' HA ' ' HD2' ' C' ' 757' ' ' TYR . 73.9 m-85 -57.06 -44.76 83.35 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.455 0.702 . . . . 71.25 110.166 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.559 ' O ' ' HG3' ' C' ' 759' ' ' GLN . 31.3 t-105 -58.98 -45.75 89.83 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.459 -1.246 . . . . 74.55 110.111 174.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 97.2 m -59.31 -36.17 75.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.883 0.873 . . . . 71.31 110.716 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.56 ' HD2' ' HA ' ' C' ' 754' ' ' PHE . 38.1 m-85 -62.46 -54.91 33.08 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 110.104 -0.332 . . . . 73.33 110.104 173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.486 HG13 ' O ' ' C' ' 754' ' ' PHE . 49.9 mt -61.37 -49.26 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 124.139 0.899 . . . . 73.5 112.098 -173.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' C' ' 755' ' ' TRP . 0.0 OUTLIER -80.93 -32.45 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.084 -0.96 . . . . 74.44 112.374 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.566 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -74.68 -25.28 59.06 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 119.316 0.962 . . . . 63.23 111.549 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 19.5 ptp -73.64 -54.66 7.63 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 108.168 -1.049 . . . . 74.32 108.168 166.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' C' ' 816' ' ' ARG . 20.5 mt -62.35 -10.96 12.8 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.342 1.457 . . . . 73.21 113.698 -178.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 61.4 m -52.71 -28.04 20.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.536 0.735 . . . . 72.12 110.483 169.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.405 ' HB3' HD21 ' A' ' 71' ' ' LEU . 6.9 t30 -142.79 -21.49 0.65 Allowed 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 124.211 1.004 . . . . 71.4 111.613 -175.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.594 HD23 HD11 ' C' ' 768' ' ' LEU . 16.2 tp -96.25 41.04 1.11 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.851 1.26 . . . . 74.1 109.426 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.13 80.72 0.69 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.934 0.894 . . . . 63.32 112.556 -171.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 28.5 p 169.2 72.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.474 1.51 . . . . 64.32 109.79 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . 0.594 HD11 HD23 ' C' ' 765' ' ' LEU . 86.9 mt -126.61 113.55 16.89 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.409 0.684 . . . . 64.23 111.371 -174.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 35.7 t -67.55 153.29 44.02 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 115.369 -0.832 . . . . 73.14 109.728 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.61 HD13 HD11 ' C' ' 773' ' ' ILE . 0.1 OUTLIER -52.21 -41.74 62.96 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.326 1.016 . . . . 74.03 110.074 174.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.39 -56.51 14.45 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.99 0.916 . . . . 45.52 111.155 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -58.15 -55.01 40.54 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 114.007 -1.451 . . . . 72.12 111.587 -173.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.61 HD11 HD13 ' C' ' 770' ' ' LEU . 2.8 pp -68.62 -23.69 28.19 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.916 0 CA-C-N 115.995 -0.548 . . . . 64.21 111.034 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.402 ' HA ' ' CD1' ' C' ' 795' ' ' LEU . 68.3 t80 -65.04 -44.64 88.39 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.19 0.45 . . . . 65.3 110.061 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -61.4 -43.45 98.85 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 123.218 0.324 . . . . 75.42 110.686 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 92.5 mmm -56.42 -64.22 0.94 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.805 0.69 . . . . 72.33 111.136 176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.579 ' HB3' HD11 ' C' ' 790' ' ' ILE . 0.7 OUTLIER -48.07 -52.41 20.36 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.554 1.542 . . . . 53.41 111.389 -179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -59.73 -38.87 82.89 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.654 0.781 . . . . 73.44 111.976 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 3.6 ttp -58.51 -45.75 88.13 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 123.964 0.79 . . . . 62.02 110.061 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . 0.459 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 33.3 m-85 -66.14 -35.29 80.1 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.952 -0.567 . . . . 72.44 112.156 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.549 HG21 HG12 ' C' ' 790' ' ' ILE . 2.1 t -77.45 -29.0 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-N 118.096 0.407 . . . . 65.05 111.418 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 -30.55 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.914 -0.491 . . . . 64.12 110.344 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.6 p -73.19 -25.97 60.98 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.756 0.312 . . . . 72.13 111.015 173.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -133.4 91.41 0.26 Allowed Glycine 0 C--N 1.341 0.829 0 N-CA-C 109.958 -1.257 . . . . 75.1 109.958 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.65 13.63 0.21 Allowed 'Trans proline' 0 C--N 1.381 2.248 0 C-N-CA 123.982 3.121 . . . . 72.22 115.28 -171.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -48.93 -35.22 14.48 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.022 1.329 . . . . 63.22 113.727 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 67.6 mt -103.88 -17.54 14.99 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.403 0.681 . . . . 74.31 111.595 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 60.1 71.11 0.59 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.564 1.146 . . . . 75.3 111.87 -171.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 54.64 99.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.639 1.576 . . . . 64.45 113.603 174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' C' ' 777' ' ' LEU . 35.0 pt -65.41 148.93 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.298 0.571 . . . . 74.11 110.452 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -102.46 170.71 7.89 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 115.554 -0.748 . . . . 72.32 110.107 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.32 -40.01 61.34 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 124.905 1.282 . . . . 75.23 111.826 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -76.04 -32.22 59.23 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 118.862 -0.589 . . . . 73.54 111.97 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.91 -61.08 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.232 -0.655 . . . . 73.23 109.232 169.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 774' ' ' TYR . 0.4 OUTLIER -65.19 -50.45 65.86 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 114.224 -1.353 . . . . 73.41 111.752 -172.457 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -57.69 -48.56 79.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.261 0.624 . . . . 70.43 110.262 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -61.71 -33.6 85.69 Favored Glycine 0 C--N 1.355 1.629 0 O-C-N 124.111 0.882 . . . . 60.23 113.244 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 6.4 t80 -64.94 -55.02 21.68 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.959 0.903 . . . . 64.44 109.64 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.48 HD11 HD11 ' C' ' 773' ' ' ILE . 74.7 mt -59.67 -43.51 93.96 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.549 1.14 . . . . 63.35 111.362 176.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -57.23 -47.64 80.84 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.611 1.194 . . . . 74.52 109.71 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -50.32 71.01 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 124.471 1.107 . . . . 72.33 110.948 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.3 mmtt -54.25 -39.71 67.07 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.787 0.662 . . . . 72.33 112.787 176.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 63.4 t -69.29 -42.76 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.69 0.796 . . . . 64.24 110.298 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -75.74 -9.39 58.55 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.767 0.827 . . . . 74.41 111.841 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.45 -1.6 35.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.947 0.899 . . . . 73.32 111.484 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 65.99 13.38 9.03 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.254 1.422 . . . . 74.44 111.943 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -92.41 -12.67 31.59 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.741 1.216 . . . . 63.33 110.562 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.0 OUTLIER -133.61 139.73 46.69 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 106.919 -1.512 . . . . 71.43 106.919 172.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.85 116.17 47.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.766 -0.827 . . . . 61.12 108.766 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -91.95 106.91 18.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 107.646 -1.242 . . . . 74.13 107.646 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 14.5 t -76.26 -149.73 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.973 0.909 . . . . 64.44 109.539 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.41 74.5 1.9 Allowed 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 121.135 0.493 . . . . 72.35 110.131 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.73 76.15 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 115.314 -0.857 . . . . 44.45 113.9 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.51 136.49 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 117.032 0.416 . . . . 34.12 110.512 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.6 139.79 30.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.779 0.832 . . . . 70.32 111.413 -174.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . 0.713 ' HA ' HD22 ' C' ' 762' ' ' LEU . 4.9 ppt_? -159.0 146.87 17.79 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.516 -0.92 . . . . 65.3 108.516 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' C' ' 762' ' ' LEU . 18.1 mt -76.57 150.79 82.43 Favored Pre-proline 0 N--CA 1.498 1.93 0 CA-C-N 118.963 0.802 . . . . 64.31 113.099 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -54.75 137.8 75.18 Favored 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.933 2.422 . . . . 71.2 111.43 161.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -85.88 2.1 47.25 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.021 0.529 . . . . 72.13 111.462 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -96.46 20.09 11.13 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.15 0.98 . . . . 73.31 110.142 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.44 -62.46 1.56 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.237 0.615 . . . . 73.32 110.116 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.254 1.293 0 C-N-CA 124.95 1.3 . . . . 73.04 111.566 -178.206 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.472 -0.251 . . . . 63.41 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.17 149.58 41.48 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.974 -0.75 . . . . 71.33 108.974 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.573 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -98.11 148.9 23.07 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.421 0.688 . . . . 74.55 109.357 -177.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 pt -131.97 155.59 41.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 CA-C-O 120.913 0.387 . . . . 63.41 110.365 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -107.75 121.66 45.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.043 -1.095 . . . . 74.31 108.043 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -108.21 93.15 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.094 -1.076 . . . . 72.23 108.094 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.27 94.85 2.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.688 -1.142 . . . . 74.02 109.379 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -93.95 126.23 39.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.064 0.459 . . . . 74.31 109.976 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.83 127.79 72.83 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 121.939 0.876 . . . . 62.33 109.807 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -97.72 85.61 3.61 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 107.042 -1.466 . . . . 62.33 107.042 171.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.439 ' HA ' ' O ' ' B' ' 107' ' ' THR . 6.8 t-105 -105.56 104.98 14.81 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 106.632 -1.618 . . . . 74.53 106.632 173.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' B' ' 171' ' ' LEU . 16.8 tppt? -158.38 128.09 5.86 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.643 -0.708 . . . . 73.31 111.445 -163.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.485 HG22 ' HB3' ' B' ' 104' ' ' PHE . 8.3 m -84.14 100.52 11.2 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 108.749 -0.834 . . . . 73.35 108.749 173.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 104' ' ' PHE . 5.8 mt -92.36 172.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 125.051 1.34 . . . . 74.42 108.623 -175.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -119.32 127.42 53.18 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.342 0.657 . . . . 71.11 109.355 175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.35 170.09 16.47 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.834 -0.802 . . . . 72.12 108.834 170.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -116.47 136.87 52.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.756 0.313 . . . . 73.35 110.306 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.59 167.36 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.219 1.008 . . . . 72.4 109.501 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.2 147.94 37.33 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 108.913 -0.773 . . . . 63.22 108.913 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.55 -34.18 65.19 Favored 'Trans proline' 0 C--N 1.368 1.567 0 C-N-CA 122.738 2.292 . . . . 75.12 111.978 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 m -83.86 0.4 47.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.986 0.914 . . . . 63.42 112.095 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -80.76 156.28 26.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.113 0.565 . . . . 71.43 110.128 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -88.32 163.24 16.15 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.368 0.667 . . . . 71.35 110.279 170.283 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 50' ' ' LEU . 41.3 mm -67.76 -24.93 31.5 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 C-N-CA 123.971 0.908 . . . . 73.42 111.065 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HG2' ' OG1' ' A' ' 22' ' ' THR . 11.1 pt-20 -57.03 -30.61 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.761 -0.654 . . . . 74.11 110.507 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.95 -55.45 25.75 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 122.893 0.477 . . . . 75.34 109.888 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.56 -36.19 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 123.337 0.398 . . . . 65.12 111.093 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -40.11 85.39 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 110.136 -0.32 . . . . 72.42 110.136 173.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.99 65.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.739 0.416 . . . . 75.42 111.413 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.1 mmpt? -78.03 -46.44 20.94 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 119.1 -0.476 . . . . 72.3 110.397 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' HB ' HD12 ' A' ' 36' ' ' ILE . 29.8 pt -66.54 -26.87 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.358 0.599 . . . . 73.25 110.714 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.426 ' NE2' ' HD3' ' A' ' 38' ' ' PRO . 8.6 tt0 -71.24 -43.42 67.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.185 0.994 . . . . 71.11 111.321 171.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.3 -39.4 89.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.08 0.952 . . . . 65.0 110.855 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -88.38 -70.84 0.62 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 114.346 -1.297 . . . . 51.02 110.329 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.4 -27.95 31.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.14 0.576 . . . . 74.32 111.617 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.86 26.96 20.81 Favored Glycine 0 C--N 1.345 1.058 0 O-C-N 123.19 0.306 . . . . 75.32 112.967 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' HB ' ' A' ' 30' ' ' ILE . 68.5 mt -76.24 109.79 9.41 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 124.158 0.983 . . . . 62.1 109.359 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 6.3 Cg_exo -74.45 135.56 20.38 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.872 2.381 . . . . 72.13 111.951 -174.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' NE2' ' A' ' 31' ' ' GLN . 17.7 Cg_endo -56.31 -44.07 49.82 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 124.382 3.388 . . . . 71.44 113.542 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.52 -4.05 37.6 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.298 -0.865 . . . . 55.21 112.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -124.88 17.98 8.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.88 0.872 . . . . 74.51 112.03 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.553 ' NE2' HD21 ' A' ' 43' ' ' LEU . 20.5 pt20 -131.63 158.99 39.59 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.244 0.618 . . . . 62.44 111.675 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -142.79 127.68 18.33 Favored 'General case' 0 C--O 1.246 0.889 0 N-CA-C 107.534 -1.284 . . . . 60.11 107.534 169.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.553 HD21 ' NE2' ' A' ' 41' ' ' GLN . 50.4 mt -97.53 124.26 41.71 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.781 0.833 . . . . 55.23 110.357 -172.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.6 HG21 ' CE1' ' C' ' 757' ' ' TYR . 34.5 mm -118.86 107.95 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.028 -0.73 . . . . 73.33 109.028 172.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -110.43 104.26 13.0 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.262 -1.014 . . . . 64.13 108.262 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.81 30.96 16.71 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 124.03 0.832 . . . . 65.41 112.017 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 97.2 -9.55 65.28 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-N 115.304 -0.862 . . . . 73.31 114.572 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.57 147.88 23.69 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 117.66 0.73 . . . . 63.2 110.216 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -104.74 100.01 9.65 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.538 1.135 . . . . 62.55 108.183 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.601 ' HB3' HG21 ' A' ' 23' ' ' ILE . 7.8 mp -73.38 112.05 9.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.248 -1.342 . . . . 53.21 111.846 -169.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.79 127.72 33.12 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.856 1.348 . . . . 54.04 109.569 171.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.43 -38.86 69.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.468 1.107 . . . . 61.12 112.039 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.76 7.98 Favored Glycine 0 C--N 1.341 0.83 0 CA-C-N 115.267 -0.879 . . . . 74.11 113.473 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.43 177.46 4.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.899 0.88 . . . . 71.25 109.02 172.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -108.12 155.18 20.7 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.759 0.824 . . . . 64.44 109.646 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.48 -48.65 80.83 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.321 0.648 . . . . 60.53 110.058 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.0 t -63.15 -24.56 67.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.312 -0.858 . . . . 53.53 112.517 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.04 -37.46 74.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.18 0.592 . . . . 64.3 110.874 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.6 m-85 -96.1 -9.18 31.42 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.011 -0.366 . . . . 72.24 110.011 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 58.06 64.54 1.49 Allowed 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.371 1.044 . . . . 71.34 109.753 -168.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 59' ' ' TYR . 1.7 mp -61.92 108.84 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 107.496 -1.298 . . . . 74.23 107.496 168.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 18.4 pt20 -85.3 164.5 17.97 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.474 -0.784 . . . . 70.24 110.039 176.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.611 ' H ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -68.47 144.62 54.59 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.696 -0.684 . . . . 73.31 111.301 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 56.26 25.78 9.69 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 125.013 1.445 . . . . 74.41 112.351 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.515 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 11.2 t -80.47 147.29 30.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.55 -0.75 . . . . 71.51 109.306 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.45 139.43 30.91 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.804 0.811 . . . . 60.03 111.024 -175.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG12 ' B' ' 105' ' ' VAL . 50.6 tp -133.02 139.74 47.37 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.831 1.653 . . . . 60.14 106.869 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' SD ' ' C' ' 776' ' ' MET . 3.0 tt -118.73 135.17 60.01 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 N-CA-C 108.095 -1.076 . . . . 75.02 108.095 170.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD12 HG22 ' B' ' 107' ' ' THR . 52.8 mt -107.23 103.38 12.75 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.869 -1.059 . . . . 70.0 108.234 -177.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.656 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.4 mp -96.91 117.94 32.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.172 -1.047 . . . . 63.45 108.172 -173.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' HG ' HG13 ' B' ' 108' ' ' VAL . 71.4 mt -69.35 171.97 7.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.442 0.297 . . . . 53.22 110.436 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -40.98 109.81 0.13 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.64 1.176 . . . . 43.52 112.692 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' C' ' 763' ' ' THR . 3.4 pp -67.02 -44.11 81.13 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.656 -0.498 . . . . 65.32 109.656 168.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' N ' HD12 ' A' ' 73' ' ' LEU . 75.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.018 1.727 . . . . 63.31 107.816 167.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.924 -0.47 . . . . 44.31 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.0 150.95 46.43 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.144 0.577 . . . . 73.34 110.235 -178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.98 160.52 17.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.629 -0.714 . . . . 64.02 109.122 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 19.9 pt -145.14 151.16 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.585 0.754 . . . . 53.21 109.894 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' HG22 ' A' ' 12' ' ' THR . 18.3 m-85 -108.73 115.04 29.33 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 108.417 -0.957 . . . . 74.31 108.417 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.593 HG12 HD23 ' A' ' 67' ' ' LEU . 24.6 m -113.37 123.57 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 120.823 0.344 . . . . 55.33 110.868 -168.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -90.23 99.03 12.13 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.648 -1.241 . . . . 61.12 107.648 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.692 ' HB ' HE22 ' B' ' 109' ' ' GLN . 82.8 p -93.24 134.35 35.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.539 1.535 . . . . 73.04 110.39 -172.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.521 HG13 ' HG ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -118.18 117.1 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.511 1.124 . . . . 55.0 109.78 175.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.692 HE22 ' HB ' ' B' ' 107' ' ' THR . 27.5 mp0 -131.85 86.42 2.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.511 0.724 . . . . 54.14 109.647 172.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -88.25 134.99 33.66 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.736 -0.838 . . . . 63.32 108.736 175.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -147.84 133.95 19.33 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.248 1.419 . . . . 75.11 108.558 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 26.9 m -93.84 117.66 30.39 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.129 -0.693 . . . . 71.13 109.129 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 31.0 mt -92.39 154.36 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 107.57 -1.27 . . . . 40.23 107.57 172.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 89.5 m -137.93 125.39 21.99 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.584 -1.265 . . . . 75.54 107.584 174.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -138.02 170.33 16.24 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 108.427 -0.953 . . . . 71.01 108.427 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 30.5 tt0 -118.64 143.1 47.05 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.808 -0.812 . . . . 63.02 108.808 171.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.24 165.75 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 123.159 0.584 . . . . 75.34 109.876 -174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' B' ' 121' ' ' ASP . 11.0 mm-40 -107.87 141.92 24.14 Favored Pre-proline 0 C--N 1.348 0.521 0 C-N-CA 124.173 0.989 . . . . 75.02 110.548 -175.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 118' ' ' GLU . 34.3 Cg_exo -61.1 -40.01 54.81 Favored 'Trans proline' 0 C--N 1.37 1.707 0 C-N-CA 123.462 2.775 . . . . 41.01 112.456 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 60.7 m -84.58 -4.47 59.0 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.359 -0.837 . . . . 71.31 111.361 -176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.434 ' HB3' ' ND2' ' B' ' 125' ' ' ASN . 0.6 OUTLIER -92.26 167.26 12.14 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.133 0.573 . . . . 65.12 109.897 178.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.5 p -97.17 160.67 14.2 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.46 1.104 . . . . 55.3 111.92 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.483 HD13 HD22 ' B' ' 156' ' ' LEU . 24.7 mm -65.97 -22.06 29.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.854 -1.521 . . . . 75.12 110.847 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.29 -21.06 59.11 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.245 1.018 . . . . 71.45 112.232 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' B' ' 121' ' ' ASP . 76.7 m-20 -64.29 -53.5 48.01 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 123.675 0.79 . . . . 72.3 109.512 171.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.64 -40.92 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.9 0.88 . . . . 72.25 109.95 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.56 -56.09 22.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 114.99 -1.005 . . . . 73.52 110.614 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.99 72.02 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.14 -0.936 . . . . 64.45 111.142 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.508 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.5 mmpt? -67.97 -54.4 18.85 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 123.55 0.531 . . . . 73.05 110.512 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 34.1 pt -67.37 -26.51 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 118.315 0.507 . . . . 73.33 111.131 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' B' ' 135' ' ' GLY . 9.8 tt0 -77.15 -26.65 53.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.853 0.861 . . . . 54.12 111.125 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -80.0 -46.35 16.77 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 121.371 0.605 . . . . 54.11 110.288 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.57 -67.0 0.63 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.745 -1.116 . . . . 71.54 110.299 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.51 -4.67 28.26 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.038 0.535 . . . . 74.43 111.191 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 131' ' ' GLN . . . 68.76 37.1 83.85 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 120.024 -0.32 . . . . 73.01 113.307 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 62.3 mt -86.93 105.19 7.43 Favored Pre-proline 0 CA--C 1.552 1.053 0 C-N-CA 124.051 0.94 . . . . 70.43 109.443 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -67.89 148.23 76.13 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.097 1.865 . . . . 72.15 111.674 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -44.98 -39.49 14.45 Favored 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 124.974 3.783 . . . . 72.53 114.684 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.91 -43.11 89.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.649 -1.16 . . . . 74.52 111.221 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.81 -9.41 58.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.706 0.802 . . . . 74.24 111.492 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -77.49 131.69 38.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.379 1.072 . . . . 74.53 109.932 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.492 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 11.5 ttt85 -140.44 78.42 1.65 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 108.611 -0.885 . . . . 74.5 108.611 166.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.404 ' H ' HD12 ' B' ' 143' ' ' LEU . 0.2 OUTLIER -73.71 107.14 5.78 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.489 -0.56 . . . . 74.4 109.489 168.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.45 133.17 44.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.416 1.086 . . . . 64.13 108.572 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.462 ' CD1' ' HG ' ' B' ' 167' ' ' LEU . 35.5 t80 -132.43 108.19 8.99 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.628 1.171 . . . . 72.24 107.924 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.01 21.97 11.1 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.754 0.821 . . . . 71.33 112.301 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.73 53.53 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 119.584 -0.565 . . . . 75.13 114.052 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 145' ' ' PHE . 21.0 ptmt -135.44 127.89 30.48 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 117.595 0.697 . . . . 73.04 109.697 176.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.85 154.02 41.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.589 -0.523 . . . . 73.22 109.589 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.5 HD21 HD23 ' B' ' 167' ' ' LEU . 0.8 OUTLIER -98.58 120.67 39.4 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.451 -0.944 . . . . 75.43 108.451 175.146 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 3.4 mp0 -67.25 130.64 43.73 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 108.045 -1.095 . . . . 74.41 108.045 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.55 -33.97 73.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.387 0.675 . . . . 74.15 111.486 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -80.02 0.63 82.66 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.829 -0.623 . . . . 31.22 113.637 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' B' ' 154' ' ' ARG . 1.3 tpm_? -95.31 168.53 10.67 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.556 0.743 . . . . 73.41 109.973 -173.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 6.9 m -97.77 155.12 17.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.227 0.611 . . . . 73.53 109.931 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.483 HD22 HD13 ' B' ' 123' ' ' ILE . 3.9 mm? -66.06 -46.42 77.84 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.39 0.676 . . . . 72.33 110.605 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 29.4 t -64.81 -25.33 67.86 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.823 -0.626 . . . . 43.22 112.054 -176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.19 -33.16 65.03 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.017 0.927 . . . . 72.24 110.557 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.405 ' HB2' HG12 ' B' ' 161' ' ' ILE . 88.4 m-85 -97.57 -9.25 27.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.492 0.717 . . . . 64.34 111.91 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 61.1 t30 60.94 49.99 5.48 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 121.932 0.872 . . . . 50.1 109.836 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' B' ' 159' ' ' TYR . 4.1 mm -65.91 141.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-N 114.932 -1.031 . . . . 73.22 110.065 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.88 164.74 20.75 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.22 0.533 . . . . 74.42 111.174 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' B' ' 163' ' ' LYS . 0.0 OUTLIER -58.42 141.34 51.81 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 115.455 -0.793 . . . . 74.25 109.59 174.018 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 61.52 11.02 3.55 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.676 1.99 . . . . 73.35 113.863 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.2 p -60.87 130.55 47.01 Favored 'General case' 0 C--N 1.369 1.426 0 CA-C-N 119.138 0.881 . . . . 50.45 110.282 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -99.02 128.05 45.08 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.362 0.665 . . . . 63.12 110.682 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.5 HD23 HD21 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -127.97 130.78 48.94 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 106.606 -1.628 . . . . 74.34 106.606 -179.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.33 116.06 34.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 108.874 -0.787 . . . . 72.14 108.874 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . . . . . . . . . 64.9 tp -87.3 105.67 17.4 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.576 -0.898 . . . . 73.35 108.576 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.423 HD23 ' HE ' ' B' ' 142' ' ' ARG . 0.7 OUTLIER -93.21 154.62 17.93 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 107.255 -1.387 . . . . 63.54 107.255 173.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 11' ' ' LYS . 39.3 tp -70.48 133.92 47.26 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 106.388 -1.708 . . . . 75.05 106.388 162.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 9.7 t -34.85 93.34 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 126.016 1.726 . . . . 71.14 114.403 -163.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.27 46.83 1.05 Allowed 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.427 -1.26 . . . . 64.04 108.211 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . 0.407 ' HA ' HH11 ' B' ' 142' ' ' ARG . 40.4 mtt180 . . . . . 0 CA--C 1.552 1.046 0 CA-C-N 115.276 -0.875 . . . . 62.02 109.673 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 CA-C-O 120.051 -0.305 . . . . 74.52 112.404 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 15.9 m -76.3 -17.35 59.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.726 0.811 . . . . 64.12 111.587 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -55.97 -57.4 12.27 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 123.585 0.754 . . . . 72.15 110.461 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 21.8 t 74.01 -40.36 0.45 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.441 1.496 . . . . 71.14 112.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.71 142.64 58.32 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.852 1.261 . . . . 74.4 111.085 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 56.3 m -146.81 32.45 0.94 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.359 1.063 . . . . 65.11 108.821 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -66.47 113.9 6.06 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.133 -0.94 . . . . 55.1 113.578 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 7.1 mmt 64.99 -174.14 0.18 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.738 1.215 . . . . 52.43 111.748 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . 59.93 27.94 17.37 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.259 1.024 . . . . 63.21 112.236 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . 0.547 ' HA ' ' HB3' ' C' ' 745' ' ' ASP . 19.0 m -56.43 -24.77 47.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.281 1.432 . . . . 42.1 114.371 -167.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -71.32 -47.66 55.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.954 0.502 . . . . 65.11 110.716 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -82.71 -19.25 38.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.996 -0.547 . . . . 43.05 110.796 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' C' ' 742' ' ' SER . 23.2 t70 -76.47 -44.03 37.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.447 0.699 . . . . 74.4 110.807 -176.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' C' ' 747' ' ' LYS . 3.6 pt20 -55.22 -51.78 65.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.605 0.566 . . . . 61.01 110.629 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' C' ' 746' ' ' GLN . 0.0 OUTLIER -69.98 -37.92 75.89 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 116.191 -0.458 . . . . 72.13 111.219 -178.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -60.24 -58.33 8.97 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 65.45 111.389 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -66.27 -43.97 84.92 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.621 -0.718 . . . . 71.54 111.05 -174.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -47.37 81.56 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.833 0.708 . . . . 63.41 111.451 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.01 -39.02 87.0 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 118.325 0.511 . . . . 62.04 111.114 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -40.69 83.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.759 -0.83 . . . . 65.31 108.759 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.94 -40.7 96.41 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.862 1.265 . . . . 61.32 110.821 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . . . . . . . . . 15.7 m-30 -67.27 -36.93 82.59 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.621 -0.718 . . . . 75.14 109.74 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.507 ' CZ2' ' HG2' ' C' ' 807' ' ' GLN . 30.1 t-105 -74.75 -29.69 61.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.088 -0.96 . . . . 64.42 110.548 176.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 96.9 m -62.19 -36.52 82.14 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.992 -0.744 . . . . 61.52 108.992 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 44' ' ' ILE . 16.5 m-30 -62.6 -67.47 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 116.008 -0.542 . . . . 74.13 110.396 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.504 HD11 HD22 ' C' ' 777' ' ' LEU . 18.9 mt -62.54 -36.24 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 124.181 0.925 . . . . 73.24 111.675 -168.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.33 -54.72 11.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.417 -0.356 . . . . 65.13 110.296 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.535 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -67.01 -29.13 68.87 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.325 0.491 . . . . 54.04 112.325 -172.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.606 ' HG3' HD12 ' C' ' 762' ' ' LEU . 27.5 ptm -78.76 -56.16 4.62 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-O 118.741 -0.647 . . . . 52.44 110.017 174.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.712 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 9.1 mp -68.66 -18.14 64.22 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.41 0.892 . . . . 75.51 113.41 -172.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.593 HG21 ' HA ' ' A' ' 73' ' ' LEU . 14.3 t -64.16 -25.35 68.04 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 118.609 0.64 . . . . 70.35 110.891 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -100.02 -44.01 6.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.087 0.955 . . . . 72.22 108.946 171.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.71 58.43 1.67 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.712 1.605 . . . . 74.0 111.062 -171.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.87 60.86 5.6 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.104 0.478 . . . . 74.12 111.04 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 41.0 p -179.25 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.63 1.172 . . . . 74.05 110.576 178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.33 127.41 45.49 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.504 0.722 . . . . 65.11 110.374 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 19.5 m -63.15 141.7 58.67 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 123.629 0.772 . . . . 71.54 109.346 172.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 18.5 tp -46.01 -37.11 6.23 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 124.615 1.197 . . . . 71.33 112.23 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.61 -43.84 36.57 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.181 1.392 . . . . 73.12 112.876 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.611 HH11 ' HB3' ' C' ' 772' ' ' ARG . 3.3 mtp-105 -63.01 -62.8 1.47 Allowed 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.662 -0.699 . . . . 70.44 111.016 -176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' C' ' 777' ' ' LEU . 0.1 OUTLIER -71.05 -23.02 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 115.211 -0.904 . . . . 72.01 110.09 -174.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -62.38 -61.95 2.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.211 0.604 . . . . 72.12 109.637 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.53 -39.01 78.98 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.668 0.787 . . . . 74.14 111.228 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . 0.631 ' SD ' HD12 ' A' ' 68' ' ' ILE . 47.5 ttm -65.86 -62.27 1.6 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.649 1.18 . . . . 75.43 111.625 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' C' ' 795' ' ' LEU . 4.8 tp -56.45 -43.02 79.11 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 123.694 0.798 . . . . 64.41 111.011 -178.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' C' ' 781' ' ' VAL . 69.2 ttt180 -71.34 -32.37 68.48 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.967 -1.015 . . . . 72.41 111.08 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 47.7 ttp -56.29 -49.74 73.4 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.949 -0.759 . . . . 73.0 108.949 170.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -61.18 -39.43 90.12 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.753 0.658 . . . . 71.23 112.484 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.835 HG11 HG12 ' C' ' 790' ' ' ILE . 2.9 p -72.16 -30.48 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 111.948 0.351 . . . . 71.55 111.948 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.7 -21.82 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 N-CA-C 112.147 0.425 . . . . 65.45 112.147 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 12.0 p -68.94 -24.56 64.29 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 111.899 0.333 . . . . 72.33 111.899 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -132.34 -178.52 15.57 Favored Glycine 0 C--O 1.24 0.5 0 N-CA-C 110.318 -1.113 . . . . 52.14 110.318 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.29 -43.96 37.17 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.453 2.102 . . . . 61.42 110.756 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 38.01 -86.11 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.637 1.975 . . . . 62.51 114.697 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 72.8 mt -133.23 21.72 4.06 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 124.56 1.144 . . . . 73.43 110.679 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 62.28 50.64 3.75 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.858 1.263 . . . . 60.41 111.318 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 42.19 99.01 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 126.605 1.962 . . . . 73.12 113.681 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.835 HG12 HG11 ' C' ' 781' ' ' VAL . 18.3 pt -76.71 174.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.33 0.652 . . . . 74.22 112.139 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . 0.591 ' HB3' HE21 ' C' ' 793' ' ' GLN . 37.9 t70 -121.97 178.48 4.87 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.776 0.83 . . . . 64.13 110.157 -177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -40.45 -53.13 2.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.778 1.631 . . . . 52.22 112.23 171.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . 0.591 HE21 ' HB3' ' C' ' 791' ' ' ASP . 3.7 pp0? -54.05 -35.91 62.52 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.804 0.842 . . . . 72.04 112.463 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . 0.423 ' HB3' ' HB ' ' C' ' 790' ' ' ILE . 4.5 tp10 -85.75 -41.1 15.39 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.543 0.737 . . . . 73.34 110.736 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' C' ' 777' ' ' LEU . 0.2 OUTLIER -64.63 -55.17 21.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.303 1.041 . . . . 53.01 109.081 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -50.61 -56.62 10.98 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 113.997 -1.456 . . . . 73.14 109.294 170.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -48.24 -41.42 23.44 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 124.398 1.061 . . . . 62.31 114.077 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 45.5 t80 -66.05 -57.48 7.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.135 0.974 . . . . 63.02 111.171 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.82 -37.19 73.2 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 114.857 -1.065 . . . . 73.51 109.968 -170.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -70.53 -32.29 69.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.962 -0.563 . . . . 75.54 109.626 176.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -58.13 -48.09 81.29 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 109.668 -0.493 . . . . 75.32 109.668 170.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -54.64 -41.34 69.96 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 123.527 0.517 . . . . 61.15 111.614 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 64.7 t -59.31 -42.81 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 CA-C-O 120.754 0.311 . . . . 73.02 111.27 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -73.86 -23.37 59.6 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.754 0.422 . . . . 75.54 111.421 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -87.15 4.65 41.49 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.615 1.166 . . . . 64.04 110.967 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 64.02 13.67 7.89 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.216 1.406 . . . . 72.31 111.135 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . 0.507 ' HG2' ' CZ2' ' C' ' 755' ' ' TRP . 26.5 tt0 -102.2 9.04 40.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.754 1.222 . . . . 61.24 110.798 -173.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 803' ' ' VAL . 0.0 OUTLIER -161.89 142.74 10.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.26 -1.755 . . . . 73.51 106.26 176.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 79.0 t -111.72 129.45 67.11 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 N-CA-C 109.21 -0.663 . . . . 74.14 109.21 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -93.1 109.94 21.42 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.896 -1.15 . . . . 74.3 107.896 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.583 ' HB3' HG13 ' C' ' 814' ' ' VAL . 21.8 t -79.3 -157.17 0.12 Allowed 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.008 -0.738 . . . . 53.32 109.008 172.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -72.84 76.33 1.15 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.022 0.529 . . . . 40.31 111.15 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 72.37 24.76 75.8 Favored Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.46 -0.791 . . . . 71.44 112.399 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' C' ' 811' ' ' SER . 5.0 p -145.38 140.89 22.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.734 -0.839 . . . . 51.01 108.734 178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' C' ' 803' ' ' VAL . 56.6 m-85 -95.31 147.32 23.62 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.763 0.316 . . . . 54.1 111.072 -175.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -156.42 132.08 9.56 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.197 -0.91 . . . . 72.41 109.736 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.712 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 11.9 tp -78.92 132.18 64.81 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-O 119.347 -0.358 . . . . 73.43 110.489 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.19 118.04 4.84 Favored 'Trans proline' 0 CA--C 1.555 1.538 0 C-N-CA 121.999 1.8 . . . . 52.0 111.643 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -61.37 -39.3 90.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.135 0.574 . . . . 72.51 109.497 168.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -120.6 131.0 54.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.347 1.059 . . . . 75.51 109.426 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 42.2 t -123.51 122.77 39.06 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.876 -1.157 . . . . 73.21 107.876 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 123.255 0.622 . . . . 62.31 110.902 -174.456 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 111.788 -0.525 . . . . 54.43 111.788 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.3 159.05 28.2 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 72.21 109.421 -175.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.482 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 1.2 mp0 -91.12 157.09 17.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.082 0.468 . . . . 73.43 111.457 -171.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.476 HD11 HG11 ' B' ' 117' ' ' VAL . 31.1 mt -135.1 152.03 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.985 0 N-CA-C 108.521 -0.918 . . . . 54.21 108.521 164.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -104.77 131.22 52.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.761 0.824 . . . . 54.11 108.894 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 57.4 t -102.54 95.11 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 108.912 -0.773 . . . . 62.41 108.912 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.83 94.6 9.88 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.981 -0.748 . . . . 62.43 108.981 -172.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.621 ' HA ' ' HB2' ' B' ' 169' ' ' LEU . 4.5 t -92.7 108.85 20.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.259 -0.428 . . . . 75.51 110.031 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.519 HG21 HD12 ' C' ' 765' ' ' LEU . 9.7 p -102.18 123.04 55.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 121.946 0.879 . . . . 75.23 110.134 176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -107.91 84.53 1.97 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.801 -1.09 . . . . 53.32 108.723 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.485 ' CE3' ' HB ' ' B' ' 108' ' ' VAL . 57.7 t-105 -90.15 104.33 16.92 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 106.006 -1.85 . . . . 52.22 106.006 168.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.32 139.96 18.87 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.509 0.505 . . . . 73.41 111.221 -168.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.6 m -83.03 125.15 31.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.492 -0.776 . . . . 72.53 109.323 174.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' B' ' 105' ' ' VAL . 45.6 mm -92.89 160.74 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 107.807 -1.183 . . . . 71.34 107.807 172.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.3 m -132.43 121.68 23.79 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.092 -1.077 . . . . 62.34 108.092 170.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD23 HG21 ' B' ' 105' ' ' VAL . 3.5 pp -117.02 170.98 8.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 108.889 -0.782 . . . . 55.22 108.889 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -126.67 127.41 45.12 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.109 -1.071 . . . . 73.04 108.109 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -144.85 173.71 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.804 0.842 . . . . 53.12 109.885 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -116.45 146.77 38.19 Favored Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 123.518 0.727 . . . . 61.43 109.522 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 30.0 Cg_endo -62.15 -30.08 81.7 Favored 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.542 2.161 . . . . 65.1 113.182 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -78.66 -13.11 59.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.073 0.549 . . . . 52.11 112.045 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB3' HD22 ' A' ' 25' ' ' ASN . 95.8 m-20 -72.04 163.03 28.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 122.729 0.412 . . . . 61.32 110.188 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 p -87.84 159.24 18.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.354 0.597 . . . . 60.41 110.805 173.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 50' ' ' LEU . 44.7 mm -69.53 -27.32 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.454 -1.248 . . . . 42.13 110.336 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.07 -27.16 69.2 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 122.918 0.487 . . . . 75.54 111.355 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.517 HD22 ' HB3' ' A' ' 21' ' ' ASP . 50.4 m-20 -68.3 -45.19 73.68 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.743 0.652 . . . . 74.54 110.337 174.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 56' ' ' LEU . 85.3 t -61.14 -48.07 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.922 0.889 . . . . 65.24 109.945 178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.57 -48.29 81.41 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.638 -1.619 . . . . 64.11 110.857 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.98 -33.21 70.22 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.467 -0.788 . . . . 74.55 111.652 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.4 ptpt -76.88 -38.2 54.06 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.133 0.424 . . . . 70.32 110.901 -177.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.678 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.8 pt -69.82 -33.68 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-O 121.007 0.432 . . . . 71.21 110.058 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -65.64 -41.08 93.0 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.467 -0.788 . . . . 74.35 111.457 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.69 -50.82 47.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.74 0.816 . . . . 72.32 110.85 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.25 -56.38 3.8 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.645 -1.161 . . . . 52.43 111.597 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -87.86 -17.13 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 122.677 0.391 . . . . 71.33 111.59 -173.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.98 43.3 Favored Glycine 0 C--N 1.35 1.344 0 N-CA-C 112.392 -0.283 . . . . 74.42 112.392 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.678 HD12 ' HB ' ' A' ' 30' ' ' ILE . 93.0 mt -79.12 114.57 45.65 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.526 1.13 . . . . 73.3 110.804 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HB2' ' HG3' ' A' ' 40' ' ' GLN . 5.7 Cg_exo -81.05 107.32 1.89 Allowed 'Trans proline' 0 C--N 1.371 1.728 0 C-N-CA 122.61 2.207 . . . . 72.15 110.047 172.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.18 -34.72 88.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.97 2.447 . . . . 72.13 114.321 -169.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.59 -47.02 77.15 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.26 -0.882 . . . . 72.11 111.827 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' ' HB2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -89.25 -5.21 57.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.669 0.248 . . . . 74.34 111.669 -177.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.465 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 9.6 tt0 -131.55 90.06 2.8 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.17 -1.048 . . . . 72.24 108.17 175.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.76 125.82 29.92 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.863 -1.062 . . . . 65.33 111.066 -170.273 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.614 HD23 HD21 ' A' ' 67' ' ' LEU . 4.6 mp -87.18 138.85 31.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.871 0.868 . . . . 74.44 110.741 -174.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.72 121.6 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 N-CA-C 108.372 -0.973 . . . . 71.32 108.372 172.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HB2' HD21 ' A' ' 50' ' ' LEU . 1.6 t80 -109.56 114.96 29.03 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.736 -1.209 . . . . 73.12 107.736 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.46 9.07 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.158 0.799 . . . . 45.02 113.158 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.58 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 91.58 22.49 31.24 Favored Glycine 0 C--N 1.35 1.339 0 CA-C-N 116.436 -0.347 . . . . 75.52 113.571 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -136.87 136.0 38.33 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.107 0.563 . . . . 74.5 110.603 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.85 132.15 35.44 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.128 0.971 . . . . 74.41 110.346 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.714 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.0 mm? -87.85 104.94 17.07 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.866 0.867 . . . . 73.5 111.094 -175.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -79.86 121.11 25.0 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.698 -0.852 . . . . 75.24 108.698 163.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 7.8 p-10 -64.13 -23.42 67.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.573 0.749 . . . . 70.23 112.48 -173.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.31 0.18 81.1 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 124.145 0.903 . . . . 64.33 114.292 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.48 176.4 5.16 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 117.788 0.794 . . . . 73.45 109.223 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.4 p -101.6 164.59 11.67 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.962 -0.384 . . . . 61.34 109.962 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 2.8 mm? -60.47 -35.72 76.58 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 109.246 -0.65 . . . . 74.5 109.246 174.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 t -63.3 -34.18 77.12 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.892 1.277 . . . . 64.33 112.587 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.45 -29.93 64.62 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.538 0.685 . . . . 60.25 111.084 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.489 ' HB2' HG13 ' A' ' 61' ' ' ILE . 68.1 m-85 -102.1 -1.85 30.68 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.453 -0.794 . . . . 72.34 111.153 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t30 59.41 39.78 21.65 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.413 1.085 . . . . 74.13 110.213 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.489 HG13 ' HB2' ' A' ' 59' ' ' TYR . 99.5 mt -71.99 98.29 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.21 -0.905 . . . . 62.53 109.868 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.97 -179.07 4.56 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 124.398 1.079 . . . . 73.02 109.534 174.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HE3' ' NE2' ' B' ' 102' ' ' GLN . 20.0 ptmt -73.88 148.13 42.59 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 112.772 0.656 . . . . 61.14 112.772 -170.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 54.59 31.16 14.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.591 -1.641 . . . . 41.33 112.25 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -85.41 164.65 17.78 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.295 -0.866 . . . . 72.33 108.749 172.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.96 124.74 50.12 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.066 0.936 . . . . 74.22 112.29 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.614 HD21 HD23 ' A' ' 43' ' ' LEU . 55.7 tp -105.04 147.85 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.871 2.068 . . . . 74.45 107.586 171.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' SD ' ' C' ' 776' ' ' MET . 8.1 tt -126.46 144.59 36.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-O 121.561 0.696 . . . . 73.55 109.637 169.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -105.92 117.19 33.39 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.653 1.181 . . . . 72.15 108.734 175.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 2.7 mm? -96.25 115.66 27.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.698 -1.223 . . . . 74.01 107.698 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HB3' ' ND2' ' C' ' 764' ' ' ASN . 10.3 tt -72.53 156.53 38.92 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 109.234 -0.654 . . . . 72.33 109.234 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -33.67 102.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.535 1.534 . . . . 63.4 112.95 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.491 HD22 ' HG3' ' A' ' 74' ' ' ARG . 6.1 tt -63.78 -56.73 13.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.389 -1.278 . . . . 62.42 109.371 -174.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 73' ' ' LEU . 18.5 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-N 114.792 -1.094 . . . . 72.32 109.449 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.18 -0.768 . . . . 74.45 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.445 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -131.2 149.85 52.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.324 1.449 . . . . 63.34 109.553 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.518 ' H ' HE21 ' B' ' 102' ' ' GLN . 0.0 OUTLIER -109.56 124.3 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.948 -1.13 . . . . 74.22 107.948 -177.247 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 25.3 pt -118.61 157.21 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.849 0.46 . . . . 73.45 110.54 -169.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.42 131.28 45.54 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 108.691 -0.855 . . . . 74.1 108.691 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 15' ' ' LEU . 76.6 t -124.77 98.73 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 N-CA-C 108.142 -1.058 . . . . 65.12 108.142 -173.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.42 121.85 27.25 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.064 -0.717 . . . . 74.42 109.064 -169.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.704 HG22 HD22 ' A' ' 69' ' ' LEU . 66.4 p -123.77 141.45 52.01 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 123.869 0.868 . . . . 63.33 110.934 -168.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.485 ' HB ' ' CE3' ' A' ' 10' ' ' TRP . 5.9 p -121.29 121.85 65.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 123.687 0.795 . . . . 62.32 109.498 170.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -128.89 88.41 2.72 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.425 -0.583 . . . . 61.11 109.425 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -83.84 128.66 34.7 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.137 -1.431 . . . . 62.52 107.137 168.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -136.46 112.76 9.87 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.073 0.949 . . . . 73.4 108.8 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 32.0 m -79.98 112.14 17.0 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.195 -0.668 . . . . 74.12 109.195 173.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 21.6 mt -94.11 169.24 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 107.344 -1.354 . . . . 71.21 107.344 172.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 44.4 m -143.44 133.07 23.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.369 -0.604 . . . . 55.05 109.369 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -137.12 168.24 19.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.175 0.99 . . . . 74.32 109.345 173.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.482 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 25.2 mt-10 -117.15 140.22 49.78 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.245 0.618 . . . . 73.44 109.705 168.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.476 HG11 HD11 ' A' ' 3' ' ' ILE . 1.9 p -136.02 176.72 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 C-N-CA 124.88 1.272 . . . . 74.3 108.606 -172.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.54 154.89 79.52 Favored Pre-proline 0 N--CA 1.485 1.307 0 N-CA-C 108.821 -0.807 . . . . 63.11 108.821 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.59 -21.95 33.54 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.242 1.295 . . . . 74.2 112.335 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.9 m -84.36 -16.24 43.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 73.33 112.875 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' B' ' 117' ' ' VAL . 0.8 OUTLIER -89.74 174.64 7.61 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 119.219 0.918 . . . . 71.41 110.923 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 3.4 p -104.05 155.05 18.99 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.162 0.985 . . . . 74.32 112.173 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 32.0 mm -57.81 -30.26 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.974 -1.467 . . . . 64.43 111.163 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.01 -35.7 67.13 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.714 0.806 . . . . 65.34 111.041 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -66.16 -46.34 77.77 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.098 0.874 . . . . 64.41 110.029 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.65 -51.21 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.719 0.808 . . . . 62.15 110.161 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.605 ' HD3' ' HG3' ' B' ' 138' ' ' PRO . 0.0 OUTLIER -69.15 -32.89 72.55 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 115.521 -0.763 . . . . 75.12 111.32 -177.043 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.99 66.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.508 0.323 . . . . 75.24 111.784 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 129' ' ' LYS . 8.6 mmpt? -75.04 -41.28 59.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.419 0.287 . . . . 72.12 111.337 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.648 ' HB ' HD12 ' B' ' 136' ' ' ILE . 24.8 pt -70.47 -30.01 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 109.862 -0.421 . . . . 73.12 109.862 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.533 HE21 ' HA ' ' B' ' 137' ' ' PRO . 34.6 tt0 -68.38 -37.71 80.65 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.103 0.561 . . . . 71.43 111.325 171.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.33 -53.29 20.33 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.129 0.571 . . . . 71.14 110.811 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -77.33 -51.86 10.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.501 -0.772 . . . . 63.35 110.796 -172.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -103.18 -10.2 18.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.828 -0.624 . . . . 75.15 112.016 -166.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.26 30.27 63.02 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 120.068 -0.296 . . . . 72.24 112.785 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' B' ' 130' ' ' ILE . 93.7 mt -85.61 107.37 12.22 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 124.582 1.153 . . . . 75.13 110.791 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.533 ' HA ' HE21 ' B' ' 131' ' ' GLN . 4.3 Cg_exo -81.18 118.7 3.36 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.178 1.919 . . . . 44.32 109.406 172.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.605 ' HG3' ' HD3' ' B' ' 127' ' ' LYS . 9.9 Cg_endo -48.44 -35.18 27.7 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 123.766 2.977 . . . . 71.02 113.832 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.19 -46.21 81.68 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 115.297 -0.865 . . . . 64.33 112.015 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.521 ' NE2' ' HG3' ' B' ' 141' ' ' GLN . 0.0 OUTLIER -84.7 -39.29 18.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.411 0.684 . . . . 74.24 111.56 -172.34 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.521 ' HG3' ' NE2' ' B' ' 140' ' ' GLN . 44.7 mt-30 -105.05 105.89 16.13 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.593 -1.262 . . . . 73.13 107.593 168.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.36 115.86 16.5 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 124.961 1.304 . . . . 74.32 109.642 -173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.02 100.92 11.99 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 109.4 -0.593 . . . . 74.23 109.4 -175.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.33 125.49 51.04 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.514 -0.921 . . . . 72.0 108.514 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' B' ' 165' ' ' SER . 0.5 OUTLIER -109.07 103.15 12.1 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.907 -0.775 . . . . 53.4 108.907 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.7 29.64 16.15 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.304 1.042 . . . . 73.42 113.087 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.19 15.89 46.18 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-N 116.56 -0.291 . . . . 75.23 113.437 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -141.55 114.89 8.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.854 0.862 . . . . 72.21 109.347 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . 0.406 ' HG3' ' H ' ' B' ' 149' ' ' GLN . 2.7 pp0? -65.25 156.25 32.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.08 0.552 . . . . 74.45 111.253 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.497 HD11 HD23 ' B' ' 167' ' ' LEU . 61.1 mt -99.85 141.83 32.14 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.521 0.729 . . . . 60.33 110.881 -176.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.669 ' HB2' ' HB2' ' B' ' 154' ' ' ARG . 43.6 mt-10 -87.42 127.83 35.21 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 107.684 -1.228 . . . . 72.04 107.684 163.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -61.15 -32.63 72.35 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.048 0.539 . . . . 72.31 110.985 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.6 5.43 78.22 Favored Glycine 0 C--N 1.343 0.969 0 CA-C-O 119.384 -0.676 . . . . 71.42 114.109 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.669 ' HB2' ' HB2' ' B' ' 151' ' ' GLU . 8.1 tpt180 -91.58 173.65 7.77 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.084 0.942 . . . . 64.0 109.563 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 18.0 m -106.18 154.92 20.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.599 0.759 . . . . 75.21 109.15 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' B' ' 161' ' ' ILE . 4.5 mm? -62.34 -43.01 99.81 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.201 0.6 . . . . 72.21 110.867 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 25.3 t -63.19 -24.77 68.03 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.136 0.791 . . . . 63.33 113.136 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -54.07 -42.04 68.84 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.458 0.647 . . . . 74.53 110.56 175.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -90.53 -5.48 55.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.895 -1.048 . . . . 71.23 110.252 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 56.33 50.58 12.98 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 124.57 1.148 . . . . 62.11 109.972 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.411 HG13 ' CD1' ' B' ' 156' ' ' LEU . 14.0 mm -61.26 114.47 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 114.061 -1.427 . . . . 74.44 110.132 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -96.3 164.3 12.71 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-O 121.192 0.52 . . . . 70.44 109.763 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -60.44 128.67 37.84 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.51 -0.768 . . . . 70.2 109.567 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 73.68 25.66 1.99 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.559 1.144 . . . . 74.11 110.554 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' B' ' 145' ' ' PHE . 74.5 m -64.83 158.88 23.85 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 109.0 -0.741 . . . . 63.14 109.0 161.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -140.02 135.46 32.69 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.092 0.405 . . . . 52.15 111.52 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.497 HD23 HD11 ' B' ' 150' ' ' LEU . 0.3 OUTLIER -113.08 136.59 52.53 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.915 0.886 . . . . 63.13 109.589 172.434 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 27.5 pt -96.52 124.08 49.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.071 0.938 . . . . 63.14 109.119 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.621 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 9.6 mp -81.93 103.26 11.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.549 -1.205 . . . . 75.3 109.282 171.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 87.3 mt -93.56 161.47 14.35 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 107.586 -1.265 . . . . 65.51 107.586 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.09 150.53 47.48 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.796 0.725 . . . . 72.44 110.471 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' B' ' 140' ' ' GLN . 6.3 t -37.5 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.239 1.816 . . . . 73.01 114.345 -173.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 29.9 tp -145.29 -88.25 0.11 Allowed 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.115 -0.493 . . . . 75.41 112.085 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.693 -0.67 . . . . 75.44 111.537 -171.112 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.007 -0.437 . . . . 72.23 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 75.2 p -144.31 24.73 1.58 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.486 0.714 . . . . 71.24 110.334 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.33 75.43 1.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.816 1.293 . . . . 72.34 110.018 178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 38.4 t -169.81 35.77 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 113.771 -1.559 . . . . 75.25 107.547 -170.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.74 121.81 16.26 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 114.617 -1.174 . . . . 42.45 111.821 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 13.5 p -79.41 134.27 36.56 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.925 0.89 . . . . 65.12 110.877 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -176.63 -154.2 11.55 Favored Glycine 0 C--N 1.344 0.995 0 N-CA-C 111.253 -0.739 . . . . 61.33 111.253 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 13.7 mmt -87.46 62.06 6.93 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.112 0.958 . . . . 71.14 110.964 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -150.47 17.46 0.82 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 113.969 -1.468 . . . . 75.2 108.74 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 6.9 m -58.07 -28.94 65.01 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.511 1.525 . . . . 63.43 113.574 -165.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -63.9 -47.03 82.21 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.271 0.628 . . . . 72.15 111.907 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -88.83 -23.76 22.74 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.909 0.883 . . . . 62.22 110.801 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' C' ' 749' ' ' GLU . 25.6 t0 -78.47 -47.01 18.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.877 0.871 . . . . 63.14 111.163 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' C' ' 750' ' ' GLU . 14.0 pt20 -47.07 -48.82 22.45 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.283 1.033 . . . . 60.42 111.829 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . 0.716 ' HA ' HD21 ' C' ' 787' ' ' LEU . 17.7 ptmt -76.17 -42.66 45.8 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.747 -1.115 . . . . 62.01 110.618 -171.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.41 -54.67 44.04 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.1 0.875 . . . . 55.51 111.501 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' C' ' 745' ' ' ASP . 10.2 pt-20 -67.2 -30.89 70.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 123.726 0.641 . . . . 73.43 110.855 -177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . 0.482 ' HG2' ' HG ' ' C' ' 787' ' ' LEU . 6.3 tp10 -65.39 -43.86 89.34 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 123.415 0.447 . . . . 73.41 110.103 174.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 747' ' ' LYS . 94.1 mt -65.68 -32.82 74.59 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.799 0.839 . . . . 62.54 110.801 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -70.4 -36.26 73.95 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.822 -0.807 . . . . 74.01 108.822 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 62.1 tp -65.49 -45.14 84.78 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.299 0.64 . . . . 72.42 110.404 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.558 ' HA ' ' HD1' ' C' ' 757' ' ' TYR . 33.0 m-85 -58.97 -42.79 90.76 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 123.508 0.505 . . . . 71.32 110.227 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -70.1 -26.66 64.08 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 115.063 -0.971 . . . . 72.33 111.24 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 80.8 m -67.5 -35.76 79.76 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.09 -0.707 . . . . 74.31 109.09 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.58 ' OH ' ' HA2' ' A' ' 47' ' ' GLY . 44.5 m-85 -63.5 -60.53 3.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 71.42 110.508 171.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.588 HD11 HD21 ' C' ' 777' ' ' LEU . 15.0 mt -64.42 -34.56 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 124.135 0.897 . . . . 74.04 111.796 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -75.46 -46.51 32.11 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.668 -0.493 . . . . 73.1 109.668 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.4 62.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.311 0.644 . . . . 71.11 111.883 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . . . . . . . . . 23.7 ttt -73.31 -59.71 2.58 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 107.823 -1.177 . . . . 72.22 107.823 172.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.858 ' HB3' ' HB2' ' C' ' 817' ' ' LEU . 27.8 mt -71.9 -17.96 62.07 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.703 1.201 . . . . 74.25 113.13 -172.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 73' ' ' LEU . 6.1 t -69.93 -16.31 63.19 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.279 0.632 . . . . 64.31 111.583 -177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.561 ' ND2' ' HB3' ' A' ' 71' ' ' LEU . 2.4 p30 -127.2 -51.11 1.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.222 1.009 . . . . 74.12 109.204 173.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 8' ' ' VAL . 13.4 tp -82.59 64.75 7.39 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.442 1.497 . . . . 75.03 108.596 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -84.32 53.08 2.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.98 -1.009 . . . . 62.3 111.011 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 27.8 p 178.74 110.12 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.747 1.219 . . . . 74.22 109.854 176.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.8 156.6 18.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.655 0.382 . . . . 70.32 111.369 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 32.7 t -78.99 155.71 28.77 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 123.283 0.633 . . . . 74.34 109.724 169.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.423 ' O ' HD12 ' C' ' 770' ' ' LEU . 7.6 tp -63.25 -27.4 69.32 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.617 -0.719 . . . . 73.41 110.39 172.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.53 -43.46 62.31 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 118.224 0.466 . . . . 73.12 111.795 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -64.37 -61.33 2.3 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 123.808 0.843 . . . . 61.14 111.633 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -35.89 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 115.385 -0.825 . . . . 73.03 111.35 -174.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.458 ' HD1' ' HG ' ' C' ' 795' ' ' LEU . 58.1 t80 -65.15 -51.63 60.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.474 0.71 . . . . 64.3 109.768 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -50.79 -46.9 59.85 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 124.205 0.941 . . . . 65.13 111.796 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . 0.541 ' SD ' HD12 ' A' ' 68' ' ' ILE . 30.5 mtm -65.71 -52.01 54.74 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.525 0.516 . . . . 72.24 111.279 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.588 HD21 HD11 ' C' ' 758' ' ' ILE . 6.4 mp -54.4 -36.51 64.02 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.018 0.437 . . . . 71.44 111.45 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.467 ' HA ' HG12 ' C' ' 781' ' ' VAL . 20.9 mmm180 -67.54 -49.9 61.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.137 -0.938 . . . . 64.31 111.468 177.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . 0.469 ' HG2' ' HA ' ' C' ' 776' ' ' MET . 11.6 ptm -58.72 -41.28 86.02 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 118.178 0.445 . . . . 72.12 110.203 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -71.97 -29.77 64.58 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.385 0.513 . . . . 70.44 112.385 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' C' ' 778' ' ' ARG . 4.2 p -81.01 -26.19 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 117.947 0.34 . . . . 74.14 111.835 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . 0.5 HG12 ' HG2' ' C' ' 789' ' ' GLU . 21.6 m -92.9 -23.35 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 N-CA-C 112.883 0.697 . . . . 64.31 112.883 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 4.7 p -65.22 -18.06 65.0 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.104 0.478 . . . . 71.32 111.541 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -136.5 178.28 18.95 Favored Glycine 0 C--O 1.24 0.502 0 N-CA-C 109.999 -1.241 . . . . 70.44 109.999 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -58.64 -38.82 87.47 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.928 1.752 . . . . 65.15 111.081 167.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 42.19 -81.17 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.514 1.926 . . . . 72.13 114.412 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . 0.716 HD21 ' HA ' ' C' ' 747' ' ' LYS . 86.3 mt -140.18 29.95 2.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.291 1.037 . . . . 74.51 111.381 -176.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 55.29 33.13 20.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.283 1.033 . . . . 44.15 111.587 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . 0.5 ' HG2' HG12 ' C' ' 782' ' ' VAL . 73.5 mt-10 69.76 118.35 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.651 1.581 . . . . 64.21 111.575 -171.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' C' ' 777' ' ' LEU . 11.6 pt -72.34 154.71 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.626 0.77 . . . . 63.12 110.563 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . 0.403 ' OD1' ' HG3' ' C' ' 793' ' ' GLN . 11.0 t70 -105.54 168.54 9.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.907 -1.042 . . . . 71.5 109.736 -168.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.43 -36.83 79.63 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.409 0.684 . . . . 62.33 111.709 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . 0.403 ' HG3' ' OD1' ' C' ' 791' ' ' ASP . 3.9 pp0? -76.83 -22.08 54.12 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 118.561 0.619 . . . . 73.4 110.887 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.36 -46.09 61.29 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.136 0.493 . . . . 71.22 109.769 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.458 ' HG ' ' HD1' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -63.2 -57.66 9.77 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.774 1.23 . . . . 75.01 109.405 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -57.72 -45.62 85.51 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 113.632 -1.622 . . . . 74.5 110.516 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -60.47 -39.47 96.36 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 124.096 0.873 . . . . 43.04 112.972 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -62.19 -53.32 56.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.939 0.896 . . . . 75.35 109.932 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 803' ' ' VAL . 66.1 mt -66.23 -40.82 90.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.122 -1.399 . . . . 35.53 111.995 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.02 -44.07 94.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.495 1.118 . . . . 72.43 109.52 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -55.56 33.56 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.326 1.016 . . . . 72.24 109.855 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.4 mmtt -52.27 -44.73 65.1 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 123.988 0.805 . . . . 72.34 112.971 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 75.9 t -64.88 -46.34 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.868 0.467 . . . . 74.31 110.919 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -80.07 -6.34 57.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.321 0.648 . . . . 60.33 111.958 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.72 -8.14 56.44 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.328 1.051 . . . . 70.31 110.749 172.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 70.0 13.49 7.87 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.811 1.644 . . . . 72.44 111.352 -173.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -79.36 -42.93 24.5 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.516 1.126 . . . . 70.24 109.353 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.7 OUTLIER -122.34 148.2 45.34 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.26 1.024 . . . . 52.14 108.565 -172.273 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 52.6 t -106.9 124.25 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.438 0.695 . . . . 51.23 109.422 171.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . 0.425 ' HB2' HG21 ' C' ' 803' ' ' VAL . 17.9 t80 -97.21 114.15 25.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 106.909 -1.515 . . . . 64.22 106.909 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 44.4 m -90.35 -142.39 0.16 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 108.35 -0.981 . . . . 72.11 108.35 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -73.88 72.75 1.59 Allowed 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.667 0.667 . . . . 55.24 110.731 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 74.55 22.82 76.74 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.599 -0.728 . . . . 65.34 113.884 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 34.7 m -133.41 157.09 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.096 0.558 . . . . 64.11 110.123 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -108.37 144.64 35.66 Favored 'General case' 0 C--O 1.25 1.082 0 C-N-CA 123.169 0.588 . . . . 70.01 110.758 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 17.0 ptt85 -156.18 139.04 15.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.556 -1.202 . . . . 74.21 109.426 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.858 ' HB2' ' HB3' ' C' ' 762' ' ' LEU . 3.1 tp -85.27 122.03 73.8 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.297 -0.631 . . . . 73.33 109.297 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . 0.674 ' HG2' ' HB3' ' C' ' 821' ' ' CYS . 52.0 Cg_endo -68.84 124.93 11.99 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.989 1.793 . . . . 62.14 110.108 170.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -82.5 7.39 14.54 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.211 0.604 . . . . 73.13 110.677 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -118.0 17.09 14.19 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.751 1.62 . . . . 55.53 109.963 173.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . 0.674 ' HB3' ' HG2' ' C' ' 818' ' ' PRO . 22.8 p -62.67 -37.64 87.21 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.47 0.708 . . . . 64.3 111.561 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.255 1.379 0 N-CA-C 108.338 -0.986 . . . . 73.03 108.338 -179.345 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 110.767 -0.933 . . . . 64.2 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.63 145.84 39.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.024 0.929 . . . . 63.42 109.328 -176.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.598 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -109.0 125.82 52.46 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.696 -0.483 . . . . 72.3 109.696 -172.309 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 156.98 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 74.31 110.899 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 12.7 m-85 -106.92 118.98 38.12 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.897 0.879 . . . . 71.11 108.972 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.8 t -110.15 98.94 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 108.757 -0.831 . . . . 60.25 108.757 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.05 99.01 4.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.784 0.833 . . . . 71.35 109.588 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 169' ' ' LEU . 7.8 t -89.38 132.92 34.74 Favored 'General case' 0 C--O 1.245 0.867 0 N-CA-C 109.016 -0.735 . . . . 63.43 109.016 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 m -102.36 146.51 10.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.886 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.679 ' HB2' ' HB3' ' B' ' 109' ' ' GLN . 74.2 mt-30 -135.35 83.59 2.03 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 107.289 -1.374 . . . . 63.52 107.289 168.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HD1' ' HE ' ' C' ' 772' ' ' ARG . 9.7 t-105 -105.07 104.03 13.68 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 106.553 -1.647 . . . . 74.52 106.553 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -157.8 144.4 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.708 -0.678 . . . . 74.24 111.558 -163.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 ' HB3' ' B' ' 104' ' ' PHE . 1.8 m -88.86 122.67 32.48 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.808 -0.812 . . . . 71.44 108.808 174.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.26 133.02 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.789 1.236 . . . . 70.34 108.611 -176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -99.22 112.79 24.87 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.603 -0.517 . . . . 71.03 109.603 176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.684 HD21 HG13 ' B' ' 105' ' ' VAL . 1.4 pt? -132.46 170.91 14.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.101 0.96 . . . . 64.4 109.356 -178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.26 149.34 26.98 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.408 0.623 . . . . 75.14 110.152 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -142.97 155.23 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.134 -1.394 . . . . 62.43 109.26 169.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mp0 -109.94 135.13 20.5 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 123.98 0.912 . . . . 65.42 109.672 -170.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 50.9 Cg_exo -56.03 -38.41 94.79 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.845 3.03 . . . . 73.11 114.481 -175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 m -82.37 -6.81 59.51 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.033 -0.53 . . . . 51.14 111.456 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB3' HD22 ' A' ' 25' ' ' ASN . 2.6 m-20 -81.36 151.93 27.74 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 122.705 0.402 . . . . 72.33 110.447 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.6 p -79.04 166.31 22.45 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.79 0.681 . . . . 63.54 111.389 173.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.759 HG21 ' HB3' ' A' ' 50' ' ' LEU . 39.5 mm -74.38 -28.62 22.94 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.773 -1.103 . . . . 74.01 110.106 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.98 -28.47 51.94 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.969 0.907 . . . . 74.21 111.536 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.511 HD22 ' HB3' ' A' ' 21' ' ' ASP . 87.1 m-20 -65.51 -50.52 64.95 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 124.124 0.97 . . . . 73.35 110.535 174.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.6 -41.87 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.604 0.762 . . . . 63.54 110.233 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG3' ' NE2' ' A' ' 41' ' ' GLN . 32.5 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 124.819 1.248 . . . . 73.11 110.54 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.84 -26.42 64.21 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 114.621 -1.172 . . . . 54.42 111.302 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.9 mmpt? -74.91 -42.6 57.47 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 122.842 0.457 . . . . 62.14 110.755 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.598 ' HB ' HD12 ' A' ' 36' ' ' ILE . 32.9 pt -69.31 -34.52 63.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 N-CA-C 109.987 -0.375 . . . . 64.03 109.987 177.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -68.63 -39.54 80.74 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.596 0.236 . . . . 75.41 111.159 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.52 -50.52 58.37 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.578 0.751 . . . . 51.01 111.223 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 68.4 mmtt -80.5 -57.43 3.59 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.289 -0.869 . . . . 73.21 110.298 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 42.7 mm-40 -90.73 -24.14 20.48 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.165 0.586 . . . . 62.23 112.008 -168.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.14 36.09 36.35 Favored Glycine 0 N--CA 1.468 0.824 0 N-CA-C 112.198 -0.361 . . . . 64.22 112.198 -175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.598 HD12 ' HB ' ' A' ' 30' ' ' ILE . 90.3 mt -82.74 117.39 68.38 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.909 0.884 . . . . 71.31 109.127 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 26.8 Cg_endo -61.59 114.29 2.19 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.899 2.399 . . . . 74.41 111.579 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 10.1 Cg_endo -51.08 -40.48 59.47 Favored 'Trans proline' 0 C--N 1.387 2.574 0 C-N-CA 124.123 3.216 . . . . 75.32 112.952 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.92 -38.71 86.7 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.361 -1.29 . . . . 73.03 112.223 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 37' ' ' PRO . 20.1 mt-30 -97.51 4.97 50.25 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.452 0.701 . . . . 70.21 112.044 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' NE2' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -92.11 135.14 34.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.412 1.085 . . . . 75.22 110.669 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.8 76.89 1.75 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.365 1.066 . . . . 72.4 109.19 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 67' ' ' LEU . 39.9 mt -71.91 135.38 46.5 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.939 0.496 . . . . 71.21 109.943 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -132.48 121.4 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 108.407 -0.96 . . . . 70.5 108.407 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HB2' HD21 ' A' ' 50' ' ' LEU . 2.0 t80 -109.71 116.22 31.3 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.286 1.034 . . . . 71.05 108.808 -173.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.49 20.56 6.19 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.922 0.889 . . . . 72.23 112.925 175.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' HA2' ' OH ' ' C' ' 757' ' ' TYR . . . 88.27 27.11 26.36 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 116.403 -0.362 . . . . 55.24 113.518 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -135.13 134.24 40.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.978 0.911 . . . . 64.31 110.06 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -81.45 133.2 35.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.345 0.658 . . . . 74.03 110.165 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 23' ' ' ILE . 3.4 mm? -78.12 105.93 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.301 1.04 . . . . 74.41 111.455 -173.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -78.58 124.61 28.35 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.874 0.87 . . . . 71.35 109.842 170.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -55.93 -44.1 78.03 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 114.316 -1.311 . . . . 75.24 112.804 -169.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.04 14.02 61.7 Favored Glycine 0 C--N 1.339 0.73 0 CA-C-N 115.126 -0.943 . . . . 63.11 114.359 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -97.69 170.03 9.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.641 0.72 . . . . 53.12 109.118 175.132 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 23.8 p -101.55 168.72 9.31 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-O 121.041 0.448 . . . . 74.23 110.187 175.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 61' ' ' ILE . 3.8 mm? -66.44 -41.78 88.66 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 115.174 -0.921 . . . . 71.3 108.754 174.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -69.12 -29.96 68.13 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.504 0.322 . . . . 62.1 110.963 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.0 -31.08 68.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.545 0.738 . . . . 73.44 110.191 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -95.71 -3.36 46.11 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 114.777 -1.101 . . . . 74.44 111.513 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t30 52.18 50.38 18.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.249 1.019 . . . . 60.31 109.325 -175.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 56' ' ' LEU . 19.3 mm -64.77 98.61 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 114.121 -1.4 . . . . 73.24 108.059 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 65' ' ' SER . 19.0 pt20 -78.45 165.86 23.29 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.673 -0.694 . . . . 64.22 110.611 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 40.2 ttmt -68.51 135.42 51.57 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.377 -0.829 . . . . 73.3 109.889 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 37.9 mt-10 61.57 34.3 17.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.78 1.232 . . . . 75.34 111.937 178.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.49 ' HB2' ' HG3' ' A' ' 62' ' ' GLN . 8.1 t -85.4 167.26 15.7 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.298 -0.864 . . . . 75.53 109.411 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.71 139.44 50.15 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.55 0.69 . . . . 71.1 111.365 -174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD23 HG12 ' B' ' 105' ' ' VAL . 44.1 tp -123.63 145.04 49.23 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.988 1.715 . . . . 71.02 107.673 177.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' B' ' 106' ' ' ASP . 7.5 tt -122.7 135.75 61.75 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 109.338 -0.616 . . . . 74.33 109.338 170.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.5 tp -95.66 114.08 25.79 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.261 0.625 . . . . 63.5 109.413 173.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' C' ' 760' ' ' ALA . 3.5 mp -97.18 153.07 18.22 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 106.02 -1.845 . . . . 72.33 106.02 166.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -108.41 173.72 6.2 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 109.241 -0.651 . . . . 63.23 109.241 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -50.98 109.14 0.29 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.761 0.663 . . . . 62.13 110.44 173.142 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' C' ' 763' ' ' THR . 2.5 pt? -62.9 -16.5 59.22 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 124.132 0.895 . . . . 71.31 112.244 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 108.797 -0.816 . . . . 73.43 108.797 172.46 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.009 -0.836 . . . . 65.45 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.63 152.01 18.83 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.135 -0.691 . . . . 42.44 109.135 175.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 63' ' ' LYS . 3.8 mm-40 -83.77 153.58 24.04 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.316 -0.994 . . . . 63.33 108.316 -178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 27.9 pt -143.46 157.84 16.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 123.652 0.781 . . . . 64.14 109.81 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.429 ' HB3' HG22 ' A' ' 12' ' ' THR . 20.7 m-85 -116.7 107.66 14.95 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.73 -1.211 . . . . 63.33 107.73 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.684 HG13 HD21 ' A' ' 15' ' ' LEU . 16.0 m -101.06 123.53 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.058 0.456 . . . . 62.53 110.923 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.472 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 5.0 m-20 -83.28 97.99 9.18 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 107.735 -1.209 . . . . 74.3 107.735 175.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 13.1 t -93.88 140.42 29.71 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-N 115.475 -0.784 . . . . 65.52 110.37 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.94 117.16 54.35 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-N 114.276 -1.329 . . . . 64.53 107.664 171.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 9' ' ' GLN . 6.7 tp-100 -138.46 102.66 4.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.542 0.737 . . . . 72.13 109.531 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -107.61 132.83 52.87 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.563 0.745 . . . . 62.13 109.116 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -130.35 116.4 18.24 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.597 0.759 . . . . 75.22 110.349 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.2 m -81.32 111.32 17.59 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.135 -0.691 . . . . 60.1 109.135 175.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 48.1 mt -89.99 156.94 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 107.443 -1.317 . . . . 73.51 107.443 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 52.1 m -142.47 111.56 6.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.931 -0.766 . . . . 51.41 108.931 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.57 139.34 42.1 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.751 -0.659 . . . . 71.11 109.827 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 39.4 tt0 -81.68 141.65 33.42 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.234 -0.654 . . . . 74.11 109.234 174.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 12.3 p -142.64 164.67 16.96 Favored 'Isoleucine or valine' 0 C--O 1.247 0.936 0 C-N-CA 123.899 0.88 . . . . 64.13 108.831 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -105.95 151.59 40.07 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 123.286 0.634 . . . . 71.24 109.824 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.04 -32.57 43.71 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 122.573 2.182 . . . . 73.04 112.033 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -81.86 -10.66 59.24 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.178 0.591 . . . . 64.33 111.766 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -70.18 156.71 38.85 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.311 0.382 . . . . 71.21 110.307 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . 0.442 ' OG1' ' HG2' ' B' ' 124' ' ' GLU . 1.8 p -86.8 162.91 17.55 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.291 0.567 . . . . 55.31 110.758 169.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' B' ' 152' ' ' ASP . 30.3 mm -71.15 -21.59 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 CA-C-N 115.325 -0.852 . . . . 43.14 109.402 175.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' B' ' 127' ' ' LYS . 11.7 pt-20 -65.66 -16.44 63.74 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.759 0.824 . . . . 74.03 111.495 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 36.1 m-80 -59.4 -57.93 10.85 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.638 0.587 . . . . 74.14 109.489 165.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.49 -35.82 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.293 0.637 . . . . 74.34 110.159 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . 0.58 ' HB3' ' HA ' ' B' ' 124' ' ' GLU . 4.4 tmmm? -58.84 -49.62 77.06 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.332 1.053 . . . . 74.23 110.528 173.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.1 74.69 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.875 -0.602 . . . . 72.01 110.523 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 31.2 mmtp -71.45 -42.09 68.63 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.075 0.55 . . . . 64.5 111.285 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.4 -28.18 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 110.25 -0.278 . . . . 63.5 110.25 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.64 -33.44 53.57 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.317 0.647 . . . . 55.53 110.956 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.35 -50.4 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.668 0.787 . . . . 55.0 109.928 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -83.32 -54.75 4.76 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 114.919 -1.037 . . . . 52.04 112.198 -173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -91.12 -22.42 20.7 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 117.854 0.297 . . . . 72.25 110.48 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' B' ' 137' ' ' PRO . . . 82.86 26.27 46.14 Favored Glycine 0 C--N 1.345 1.064 0 CA-C-N 115.97 -0.559 . . . . 73.5 112.881 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 59.3 mt -91.12 104.78 10.4 Favored Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 124.131 0.972 . . . . 73.32 110.085 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' B' ' 135' ' ' GLY . 50.6 Cg_exo -59.18 154.26 47.23 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.888 2.392 . . . . 61.32 112.743 172.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . 0.421 ' HD3' ' HD3' ' B' ' 127' ' ' LYS . 15.9 Cg_endo -53.74 -31.6 61.94 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 124.118 3.212 . . . . 70.32 113.003 177.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.457 ' HB2' ' NE2' ' B' ' 140' ' ' GLN . 3.9 m-20 -54.45 -45.76 73.17 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.895 1.372 . . . . 75.23 112.064 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' B' ' 139' ' ' ASP . 0.0 OUTLIER -104.05 13.51 32.4 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 123.006 0.522 . . . . 74.11 112.39 -179.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -76.84 100.91 5.67 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 109.516 -0.55 . . . . 72.12 109.516 168.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.744 ' HB2' ' HA ' ' B' ' 172' ' ' THR . 7.6 tpt180 -100.95 71.19 1.41 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 107.538 -1.282 . . . . 73.34 107.538 166.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 101.93 11.68 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 107.766 -1.198 . . . . 72.33 107.766 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -100.0 149.91 22.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.762 -0.829 . . . . 63.23 108.762 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -143.26 108.4 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.657 1.183 . . . . 52.14 107.868 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 60.61 23.84 13.6 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.812 0.845 . . . . 65.54 112.774 174.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.66 15.68 45.44 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.356 -0.384 . . . . 64.44 113.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -139.42 128.69 24.03 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.056 0.542 . . . . 64.4 110.126 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.55 161.18 28.48 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.013 0.925 . . . . 71.4 111.46 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.639 HD11 HD23 ' B' ' 167' ' ' LEU . 52.3 mt -115.92 117.94 31.56 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 123.703 0.801 . . . . 52.13 109.629 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . 0.521 ' HB2' ' HD3' ' B' ' 154' ' ' ARG . 4.7 mp0 -78.73 131.28 36.53 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.036 -1.098 . . . . 74.34 108.036 170.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . 0.576 ' HA ' ' HB ' ' B' ' 123' ' ' ILE . 11.2 p-10 -59.62 -30.34 68.63 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.085 0.554 . . . . 72.23 111.675 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -81.3 6.5 63.72 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 114.457 0.543 . . . . 73.34 114.457 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.521 ' HD3' ' HB2' ' B' ' 151' ' ' GLU . 0.9 OUTLIER -97.26 167.8 10.81 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 109.106 -0.702 . . . . 74.25 109.106 176.566 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 122' ' ' THR . 12.3 p -96.99 167.32 11.14 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.64 0.376 . . . . 50.53 110.84 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . 0.447 HD12 HG21 ' B' ' 161' ' ' ILE . 3.2 mm? -67.05 -38.72 86.34 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 108.82 -0.807 . . . . 73.42 108.82 172.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 35.1 t -66.47 -29.66 69.83 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.348 0.659 . . . . 74.4 111.657 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.23 -32.48 62.31 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.28 0.632 . . . . 75.53 111.289 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.19 -2.46 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.46 0.704 . . . . 73.55 110.914 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 59.7 t30 53.53 53.47 11.53 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.092 0.957 . . . . 75.13 109.735 -174.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.447 HG21 HD12 ' B' ' 156' ' ' LEU . 3.5 mm -64.12 111.58 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-N 114.562 -1.199 . . . . 72.03 109.681 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -87.52 165.7 15.31 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 121.647 0.737 . . . . 71.14 110.56 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -64.79 142.08 58.56 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 108.082 -1.081 . . . . 61.33 108.082 170.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.1 20.22 10.35 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.319 1.448 . . . . 74.43 112.268 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.0 m -54.88 126.16 23.19 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 118.566 0.621 . . . . 61.31 110.878 167.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -104.65 115.85 31.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.395 0.678 . . . . 73.13 109.658 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.639 HD23 HD11 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -118.23 151.61 37.3 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.541 1.137 . . . . 71.02 108.134 -174.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 10.0 tt -117.91 116.65 52.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 CA-C-O 121.789 0.804 . . . . 74.32 110.19 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 7' ' ' THR . 57.3 tp -89.99 103.92 16.54 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.63 -1.168 . . . . 71.25 109.935 177.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' B' ' 142' ' ' ARG . 71.5 mt -103.43 161.58 13.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.953 1.301 . . . . 71.55 109.597 173.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.94 140.8 37.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 107.947 -1.131 . . . . 75.05 107.947 164.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . 0.744 ' HA ' ' HB2' ' B' ' 142' ' ' ARG . 40.5 m -47.7 101.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 113.451 0.908 . . . . 72.34 113.451 -173.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -160.22 131.62 5.88 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 114.352 -1.295 . . . . 74.11 107.973 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 41.3 tpt85 . . . . . 0 CA--C 1.563 1.447 0 C-N-CA 125.261 1.424 . . . . 71.21 111.737 179.873 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.186 -0.366 . . . . 72.25 112.186 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 50.9 m -154.46 15.78 0.45 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.025 0.93 . . . . 53.05 110.517 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.21 -177.72 6.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.683 0.793 . . . . 71.21 110.377 -166.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 16.4 t 67.97 37.32 3.08 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.729 1.212 . . . . 73.53 111.393 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.09 -176.11 5.36 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.048 0.939 . . . . 71.45 110.835 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 51.0 m -99.73 124.0 44.56 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.567 0.747 . . . . 74.23 109.937 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . -59.23 93.78 0.05 OUTLIER Glycine 0 C--N 1.349 1.284 0 O-C-N 123.843 0.714 . . . . 71.03 113.07 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 58.2 mtm -62.93 -36.73 84.38 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.072 0.949 . . . . 74.44 112.018 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' C' ' 744' ' ' ALA . . . -156.53 -106.24 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.571 0.748 . . . . 60.35 109.154 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 48.2 m -146.64 -85.73 0.11 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.847 -0.797 . . . . 71.32 108.847 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -21.83 43.56 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 109.998 -0.371 . . . . 75.22 109.998 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' C' ' 741' ' ' ALA . . . -69.08 -43.7 74.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.14 0.976 . . . . 50.15 110.207 174.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . 0.479 ' HB2' ' H ' ' C' ' 741' ' ' ALA . 35.6 t70 -68.26 -42.71 79.2 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.479 -0.782 . . . . 33.14 110.54 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.05 -56.18 13.86 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.136 1.374 . . . . 73.41 112.128 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.39 -36.37 81.18 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.711 0.632 . . . . 54.03 111.859 -171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.32 -55.62 32.59 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.055 0.847 . . . . 61.14 111.507 171.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -65.1 -24.59 67.48 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.096 -0.502 . . . . 72.22 111.037 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.61 -39.64 67.11 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.146 0.579 . . . . 72.33 109.726 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.59 -36.29 83.77 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.834 0.854 . . . . 63.42 110.323 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.2 -34.63 71.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.018 -0.992 . . . . 74.1 109.781 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.37 -34.35 65.54 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.001 0.92 . . . . 70.21 109.364 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.479 ' O ' HG13 ' C' ' 758' ' ' ILE . 12.4 m-85 -65.59 -39.6 91.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.975 -1.011 . . . . 72.02 109.829 171.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -72.79 -26.03 61.37 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 115.677 -0.692 . . . . 73.43 110.262 174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 81.7 m -64.39 -39.82 94.61 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 108.917 -0.771 . . . . 63.14 108.917 173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . 0.449 ' HA ' HD21 ' A' ' 70' ' ' LEU . 32.7 m-85 -59.21 -66.86 0.44 Allowed 'General case' 0 C--N 1.361 1.098 0 O-C-N 123.864 0.728 . . . . 74.32 110.311 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.487 HG23 HG21 ' C' ' 773' ' ' ILE . 13.4 mt -62.8 -36.62 76.26 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 O-C-N 124.197 0.935 . . . . 40.54 111.069 -166.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.74 -61.93 1.98 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 122.664 0.386 . . . . 71.33 110.184 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.512 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -65.2 -20.62 66.52 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.226 0.536 . . . . 71.31 111.155 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.562 ' HG2' ' HB2' ' C' ' 766' ' ' GLU . 25.5 ttt -74.53 -59.65 2.64 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 125.113 1.365 . . . . 53.42 109.925 175.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . 0.461 ' HB2' HD22 ' C' ' 817' ' ' LEU . 75.0 mt -61.29 -25.3 67.01 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 124.25 1.02 . . . . 74.52 112.213 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 73' ' ' LEU . 26.3 m -49.59 -32.58 13.04 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.657 1.583 . . . . 74.14 113.126 -176.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -151.96 -28.73 0.17 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.042 0.537 . . . . 71.11 111.219 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . 0.477 HD12 ' HG3' ' C' ' 761' ' ' MET . 1.4 tm? -93.57 -72.51 0.6 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.383 1.073 . . . . 73.22 110.775 -167.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . 0.696 ' HG2' HG23 ' C' ' 773' ' ' ILE . 13.4 tp10 -85.25 42.77 0.96 Allowed 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.768 -0.583 . . . . 74.33 112.466 -166.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . . . . . . . . . 50.8 m -70.61 52.15 0.14 Allowed 'General case' 0 CA--C 1.57 1.736 0 C-N-CA 123.97 0.908 . . . . 62.24 112.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.38 -122.79 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 124.636 1.174 . . . . 74.32 111.005 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . . . . . . . . . 34.4 t -74.08 143.56 45.36 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.854 1.057 . . . . 44.33 113.854 -156.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . 0.474 ' HA ' HD11 ' C' ' 773' ' ' ILE . 12.7 tp -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 114.838 -1.074 . . . . 52.43 110.565 171.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -53.99 -33.4 56.98 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.382 0.61 . . . . 74.45 110.736 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.48 ' HE ' ' HD1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -67.3 -66.45 0.56 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.519 -1.218 . . . . 75.33 111.208 -176.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.696 HG23 ' HG2' ' C' ' 766' ' ' GLU . 0.2 OUTLIER -60.25 -30.39 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-N 118.994 0.816 . . . . 71.2 111.269 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.28 -57.85 11.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.385 0.274 . . . . 64.44 110.439 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -69.44 -28.72 66.36 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.006 0.373 . . . . 64.05 112.006 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 96.1 mmm -61.77 -55.21 32.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 121.028 0.442 . . . . 61.13 110.155 171.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.433 HD21 HG12 ' C' ' 758' ' ' ILE . 1.0 OUTLIER -55.01 -38.37 67.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.654 1.581 . . . . 75.42 112.378 176.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -64.46 -43.74 93.29 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 123.664 0.785 . . . . 74.43 110.559 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -57.41 -47.18 82.41 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.689 -0.687 . . . . 61.04 110.605 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.32 -34.33 75.92 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.444 0.535 . . . . 72.01 112.444 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.448 HG11 HG12 ' C' ' 790' ' ' ILE . 6.2 p -79.08 -26.31 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.705 0.261 . . . . 70.44 111.705 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.05 -34.11 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 122.089 -0.382 . . . . 60.15 110.668 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 33.5 p -77.56 -26.19 50.72 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.054 0.455 . . . . 65.11 110.742 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -119.89 93.61 0.55 Allowed Glycine 0 N--CA 1.441 -1.032 0 N-CA-C 108.743 -1.743 . . . . 72.12 108.743 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -70.65 11.56 0.48 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.38 2.72 . . . . 61.23 113.832 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . -52.88 -34.89 56.78 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.801 1.24 . . . . 74.22 112.989 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 68.2 mt -112.89 -5.12 13.86 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.315 0.646 . . . . 75.22 110.995 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 65.9 -67.75 0.14 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.63 1.572 . . . . 52.21 111.672 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -147.53 115.85 6.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.838 1.255 . . . . 71.54 108.911 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.448 HG12 HG11 ' C' ' 781' ' ' VAL . 31.7 pt -77.48 153.39 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.877 -0.786 . . . . 72.15 108.877 165.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' C' ' 793' ' ' GLN . 16.2 t70 -113.19 167.03 10.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.906 0.483 . . . . 54.53 109.915 -173.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.24 -54.18 49.71 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 123.667 0.787 . . . . 72.35 110.661 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . 0.414 ' HG3' ' OD2' ' C' ' 791' ' ' ASP . 0.0 OUTLIER -63.02 -32.91 74.38 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 111.996 0.369 . . . . 60.25 111.996 -175.376 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.08 -49.78 33.6 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.089 0.556 . . . . 53.45 111.899 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.85 -49.85 41.68 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.668 0.787 . . . . 73.11 109.393 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . 0.489 ' HA ' HD12 ' C' ' 799' ' ' LEU . 54.0 tt0 -58.28 -46.58 85.79 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.992 0.917 . . . . 71.22 111.211 171.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.19 77.18 Favored Glycine 0 N--CA 1.477 1.414 0 O-C-N 123.57 0.544 . . . . 62.32 113.837 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.43 ' O ' ' HG2' ' C' ' 802' ' ' LYS . 29.6 t80 -65.27 -52.63 53.09 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.956 0.902 . . . . 74.32 109.052 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' C' ' 796' ' ' GLN . 12.1 mt -56.84 -39.8 74.89 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.734 1.214 . . . . 70.12 111.801 175.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -43.38 90.07 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.841 1.257 . . . . 63.44 109.776 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -52.6 65.0 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 108.525 -0.917 . . . . 73.34 108.525 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' C' ' 808' ' ' LEU . 74.1 mmtt -53.62 -46.31 70.42 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.023 0.827 . . . . 73.12 111.963 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' C' ' 808' ' ' LEU . 79.2 t -60.35 -49.64 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.368 0.667 . . . . 74.34 110.476 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -73.72 -9.41 58.63 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.389 0.676 . . . . 72.32 112.362 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -94.61 -1.33 53.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.77 0.828 . . . . 74.14 112.038 174.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.5 12.19 7.98 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.417 1.487 . . . . 72.42 111.107 -173.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -79.94 -24.76 40.79 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.175 0.99 . . . . 72.4 109.421 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' C' ' 802' ' ' LYS . 0.8 OUTLIER -134.53 146.77 50.0 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.593 1.157 . . . . 73.54 108.197 -178.511 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.71 119.73 60.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 C-N-CA 123.826 0.85 . . . . 72.43 108.869 172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -93.23 106.63 18.57 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.089 -1.448 . . . . 62.52 107.089 169.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . . . . . . . . . 37.4 t -89.53 -133.67 0.1 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 108.478 -0.934 . . . . 70.32 108.478 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -74.9 72.24 2.08 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.025 0.83 . . . . 60.14 111.128 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 70.62 23.62 77.56 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 116.234 -0.439 . . . . 72.24 112.561 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.28 150.04 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 123.201 0.6 . . . . 72.44 110.248 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -103.14 134.77 46.0 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 109.198 -0.667 . . . . 74.22 109.198 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.56 141.8 22.33 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 115.129 -0.941 . . . . 74.34 109.18 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' C' ' 762' ' ' LEU . 1.0 OUTLIER -86.46 127.16 61.96 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-N 118.017 0.371 . . . . 74.25 110.603 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.04 141.13 39.37 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.626 2.218 . . . . 74.11 112.231 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -129.03 9.29 5.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.879 0.872 . . . . 74.0 111.051 170.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.93 123.89 20.15 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.107 0.563 . . . . 74.13 110.043 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . . . . . . . . . 55.0 m -137.44 163.18 31.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.847 1.259 . . . . 71.01 108.848 174.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.252 1.221 0 N-CA-C 109.507 -0.553 . . . . 62.04 109.507 -176.272 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 111.95 -0.46 . . . . 45.04 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.47 163.62 36.62 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.898 0.879 . . . . 71.45 109.275 -171.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.689 ' HG3' ' HG2' ' B' ' 116' ' ' GLU . 0.5 OUTLIER -99.89 159.45 15.06 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.745 -0.661 . . . . 72.45 109.326 -178.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 115' ' ' LEU . 14.1 pt -135.72 162.15 37.44 Favored 'Isoleucine or valine' 0 C--O 1.247 0.943 0 C-N-CA 124.306 1.042 . . . . 63.42 108.878 174.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' B' ' 113' ' ' ILE . 23.0 m-85 -115.56 117.32 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.322 -0.853 . . . . 73.13 108.863 172.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' B' ' 113' ' ' ILE . 47.4 t -96.22 93.2 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 107.692 -1.225 . . . . 73.41 107.692 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -82.11 97.6 8.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.098 -0.956 . . . . 75.43 110.475 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -94.36 128.57 40.96 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.079 0.466 . . . . 72.33 110.421 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.98 141.09 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.894 0.878 . . . . 71.24 109.841 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -139.05 148.28 43.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.527 0.731 . . . . 74.22 109.654 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.402 ' HZ2' ' HE2' ' C' ' 761' ' ' MET . 23.1 m95 -94.28 118.88 32.23 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.542 -0.91 . . . . 72.53 108.542 170.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -127.86 113.17 15.57 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.829 0.347 . . . . 73.55 110.993 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 106' ' ' ASP . 28.0 m -88.08 129.08 35.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.254 0.622 . . . . 73.13 110.15 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 mm -107.3 112.54 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.821 -0.807 . . . . 73.23 108.821 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' CD1' ' B' ' 104' ' ' PHE . 25.6 p -87.3 128.1 35.18 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.64 0.376 . . . . 74.53 110.746 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.07 170.08 16.58 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.82 0.848 . . . . 44.44 110.04 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.81 ' HG2' ' HG3' ' B' ' 102' ' ' GLN . 3.3 tm-20 -121.47 132.95 55.02 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 106.916 -1.512 . . . . 74.34 106.916 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG11 HG22 ' A' ' 26' ' ' VAL . 12.0 m -136.17 172.15 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.197 0.599 . . . . 63.1 111.502 -178.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -104.63 155.03 38.03 Favored Pre-proline 0 N--CA 1.479 0.985 0 N-CA-C 108.728 -0.841 . . . . 74.41 108.728 173.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.85 -36.02 33.23 Favored 'Trans proline' 0 C--N 1.365 1.426 0 C-N-CA 122.326 2.017 . . . . 70.04 111.24 170.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 p -78.78 -11.25 59.98 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.417 0.687 . . . . 73.35 112.172 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.77 153.5 43.15 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.555 0.742 . . . . 74.54 110.171 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -82.72 157.3 23.35 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.645 0.736 . . . . 75.13 110.311 167.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.79 HG21 ' HB3' ' A' ' 50' ' ' LEU . 40.3 mm -69.06 -28.24 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.389 -1.278 . . . . 64.34 111.045 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.03 -18.88 65.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.052 0.541 . . . . 70.34 111.085 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 51.3 m-20 -66.0 -52.41 49.62 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.039 0.837 . . . . 63.41 109.424 169.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HG11 ' A' ' 17' ' ' VAL . 96.0 t -54.43 -49.06 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.319 1.048 . . . . 74.55 110.549 177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -58.34 -48.56 80.16 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.893 -1.503 . . . . 71.35 111.008 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -28.57 66.05 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.615 -0.72 . . . . 34.52 111.501 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 71.1 mmtt -72.98 -46.49 52.0 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 122.835 0.454 . . . . 75.55 110.329 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.695 ' HB ' HD12 ' A' ' 36' ' ' ILE . 16.0 pt -69.77 -32.38 51.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 CA-C-O 120.789 0.328 . . . . 74.15 110.779 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.74 -35.46 80.17 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 123.415 0.686 . . . . 55.02 110.91 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.84 -49.01 64.55 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.56 0.744 . . . . 71.51 110.48 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 72.2 mmtt -75.49 -65.65 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.558 0.743 . . . . 71.21 110.881 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HB3' HG13 ' A' ' 36' ' ' ILE . 40.6 tt0 -90.27 -31.17 17.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.805 0.442 . . . . 74.32 111.031 -172.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 27.05 9.1 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.848 -0.615 . . . . 60.51 112.17 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.695 HD12 ' HB ' ' A' ' 30' ' ' ILE . 57.7 mt -65.6 112.76 9.4 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.103 0.961 . . . . 64.43 110.665 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 Cg_endo -70.13 111.27 2.84 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.215 2.61 . . . . 71.4 112.583 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 Cg_endo -57.97 -37.77 94.72 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 123.843 3.028 . . . . 61.35 114.128 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.67 -41.67 82.02 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 124.399 1.062 . . . . 73.12 112.39 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -11.13 30.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.178 -0.464 . . . . 63.43 111.75 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -78.73 143.54 36.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.873 0.869 . . . . 53.23 111.629 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -136.53 74.01 1.48 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.317 1.447 . . . . 61.5 107.148 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.91 121.17 17.63 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 108.618 -0.882 . . . . 53.4 108.618 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 15.7 mt -125.71 143.96 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.81 0.844 . . . . 70.22 110.681 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 50' ' ' LEU . 27.0 t80 -131.8 112.77 12.78 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.914 1.686 . . . . 61.44 109.419 -174.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.39 18.96 9.8 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.679 0.792 . . . . 71.14 112.171 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.99 59.01 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.638 -0.71 . . . . 60.22 113.936 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -122.52 112.56 18.18 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 107.649 -1.241 . . . . 52.42 107.649 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 44' ' ' ILE . 34.8 tt0 -70.33 137.01 50.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.772 -0.649 . . . . 74.21 109.809 -177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 23' ' ' ILE . 2.1 mm? -80.43 100.82 8.68 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 124.19 0.996 . . . . 52.21 108.789 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 54' ' ' ARG . 11.9 mp0 -65.08 123.49 19.62 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 107.536 -1.283 . . . . 75.53 107.536 166.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.24 -36.87 78.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.969 0.508 . . . . 61.3 111.438 -174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.87 13.35 31.21 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.575 -0.569 . . . . 72.5 114.223 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.0 tpt180 -98.31 178.48 5.04 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.824 0.85 . . . . 72.35 109.222 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 57' ' ' SER . 19.7 m -108.94 150.72 27.31 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.306 -0.627 . . . . 71.43 109.306 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 23' ' ' ILE . 3.5 mm? -57.59 -40.07 78.2 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.477 -0.564 . . . . 74.33 109.477 175.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 55' ' ' THR . 44.2 t -62.76 -29.04 70.4 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.352 1.061 . . . . 74.12 113.182 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.09 -35.93 69.99 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.23 0.538 . . . . 63.31 110.786 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HB2' HG12 ' A' ' 61' ' ' ILE . 51.8 m-85 -93.36 -8.3 42.31 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.148 -0.933 . . . . 74.24 110.263 -177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 t30 48.72 56.61 7.38 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.705 1.202 . . . . 75.31 109.763 -168.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 59' ' ' TYR . 3.3 mm -62.22 111.52 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 113.995 -1.457 . . . . 72.22 109.322 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -81.84 -178.86 7.16 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.593 -0.73 . . . . 74.44 110.206 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 38.8 ttmt -79.01 144.1 35.03 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 109.573 -0.528 . . . . 75.21 109.573 170.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 63' ' ' LYS . 40.2 mt-10 63.43 28.41 15.44 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 124.869 1.356 . . . . 74.44 111.576 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.9 m -60.89 118.22 6.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 115.44 -0.8 . . . . 44.2 109.546 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 120.51 31.42 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.906 -0.776 . . . . 73.04 108.906 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.83 162.91 16.98 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.942 -1.503 . . . . 62.12 106.942 174.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 tt -135.59 138.78 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-O 121.096 0.474 . . . . 52.2 110.322 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 HG22 ' B' ' 107' ' ' THR . 10.9 mp -79.97 118.7 21.95 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 115.347 -0.842 . . . . 70.14 109.828 170.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' C' ' 760' ' ' ALA . 64.7 mt -95.48 158.87 15.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 105.851 -1.907 . . . . 54.21 105.851 159.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' C' ' 764' ' ' ASN . 2.4 pt? -126.38 171.96 10.56 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.406 -0.59 . . . . 51.32 109.406 176.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.2 m -35.31 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.155 1.382 . . . . 73.43 114.266 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 tp -86.5 -33.47 20.32 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.801 -1.545 . . . . 72.12 108.761 167.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 . . . . . 0 C--O 1.249 1.073 0 CA-C-N 114.147 -1.388 . . . . 74.14 109.897 -172.175 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.977 0 N-CA-C 111.024 -0.83 . . . . 71.52 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.441 ' HB2' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -157.56 154.26 28.26 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.46 0.704 . . . . 73.5 110.675 178.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.81 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 19.4 mp0 -107.55 125.24 51.05 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.327 -0.99 . . . . 75.2 108.327 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.89 160.33 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.984 0.514 . . . . 64.14 110.436 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.445 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -120.17 105.7 11.23 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.514 -0.921 . . . . 70.13 108.514 -172.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.457 HG21 HG21 ' A' ' 30' ' ' ILE . 27.6 m -99.25 106.87 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 107.904 -1.147 . . . . 73.51 107.904 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 37.2 t0 -87.7 138.19 31.68 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.864 -1.062 . . . . 70.01 110.311 -170.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 69' ' ' LEU . 62.6 p -129.38 144.15 51.13 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.54 0.736 . . . . 64.24 111.308 -166.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -91.21 109.34 20.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.37 -0.974 . . . . 50.11 108.37 174.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -98.96 95.24 7.02 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.664 -0.698 . . . . 73.2 109.896 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -99.24 131.97 44.89 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.28 1.032 . . . . 75.41 109.194 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -132.77 144.33 50.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.763 1.225 . . . . 72.14 108.52 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 40.1 m -115.98 113.15 22.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.894 0.878 . . . . 75.31 109.814 175.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.595 ' HB ' ' HB ' ' A' ' 5' ' ' VAL . 40.5 mt -92.45 159.77 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 108.42 -0.956 . . . . 60.35 108.42 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 64.9 m -132.34 107.41 8.52 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.244 0.618 . . . . 62.44 109.761 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 3' ' ' ILE . 3.8 tt -117.9 138.73 51.94 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.686 1.194 . . . . 65.31 108.504 -172.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.689 ' HG2' ' HG3' ' A' ' 2' ' ' GLN . 26.2 mt-10 -102.98 117.39 34.48 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.337 0.589 . . . . 65.11 110.21 176.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.8 p -124.74 166.12 20.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 115.045 -0.98 . . . . 74.44 110.707 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -109.66 152.62 42.95 Favored Pre-proline 0 N--CA 1.476 0.847 0 N-CA-C 108.777 -0.823 . . . . 72.21 108.777 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.89 -32.6 54.79 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.185 1.923 . . . . 72.34 111.302 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 40.7 m -87.65 5.53 39.14 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.934 0.894 . . . . 74.03 112.392 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -82.34 153.24 25.88 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 109.566 -0.531 . . . . 74.15 109.566 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -82.75 165.75 19.65 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.52 -0.764 . . . . 70.25 109.604 165.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 154' ' ' ARG . 30.9 mm -64.3 -28.1 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 115.373 -0.83 . . . . 75.31 110.897 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -57.14 -28.21 62.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.482 0.713 . . . . 72.02 111.493 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' B' ' 129' ' ' LYS . 44.4 m-80 -62.31 -55.25 30.0 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.603 0.761 . . . . 62.11 110.161 174.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -57.68 -47.49 85.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 C-N-CA 124.27 1.028 . . . . 75.11 110.819 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.38 -38.6 81.53 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.033 -1.439 . . . . 65.11 110.951 -175.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.67 61.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.968 -0.539 . . . . 55.53 110.89 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' B' ' 125' ' ' ASN . 70.7 mmtt -66.59 -56.76 9.26 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 118.237 0.471 . . . . 71.44 110.512 173.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.573 HG21 HG11 ' A' ' 5' ' ' VAL . 7.9 pt -63.52 -29.39 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 120.853 0.359 . . . . 75.24 111.698 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.87 -42.77 85.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.762 0.825 . . . . 64.01 111.506 170.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.95 -38.35 85.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.015 0.526 . . . . 62.34 110.927 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -83.13 -45.66 13.68 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.951 -1.022 . . . . 64.33 112.735 -173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.3 -8.48 14.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 112.94 0.719 . . . . 62.33 112.94 -175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.97 23.2 62.08 Favored Glycine 0 N--CA 1.473 1.157 0 CA-C-O 119.859 -0.412 . . . . 62.13 113.262 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.73 112.25 23.31 Favored Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 109.253 -0.647 . . . . 54.13 109.253 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -58.26 130.76 39.34 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.666 2.244 . . . . 62.2 112.032 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.65 -44.32 49.12 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 124.214 3.276 . . . . 70.14 113.919 -168.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.77 -25.16 48.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.281 -0.872 . . . . 63.41 111.024 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -92.72 20.44 6.45 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.102 0.561 . . . . 73.2 111.48 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.438 HE21 HD11 ' B' ' 169' ' ' LEU . 5.0 pt20 -136.59 130.7 32.73 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.466 0.651 . . . . 75.32 110.03 173.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 30.8 mtp-105 -106.89 110.1 22.17 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.672 1.189 . . . . 64.3 108.906 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' B' ' 150' ' ' LEU . 0.7 OUTLIER -89.95 127.5 36.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.061 -1.089 . . . . 65.41 108.061 179.059 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.15 139.46 51.23 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.193 0.597 . . . . 73.13 109.921 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' PHE . . . . . 0.654 ' HB2' HD21 ' B' ' 150' ' ' LEU . 36.9 t80 -142.37 107.09 4.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.148 0.979 . . . . 62.24 109.065 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' ALA . . . . . . . . . . . . . . . 56.86 36.48 27.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.297 0.998 . . . . 65.45 110.615 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.37 6.45 83.9 Favored Glycine 0 C--N 1.35 1.307 0 CA-C-N 115.091 -0.959 . . . . 23.01 114.154 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -124.39 126.13 45.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.446 0.698 . . . . 73.14 110.074 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.09 139.48 56.21 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.918 0.487 . . . . 74.02 110.715 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 145' ' ' PHE . 2.0 mm? -86.88 105.74 17.27 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.883 0.873 . . . . 55.2 109.193 175.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.67 132.42 44.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.353 1.061 . . . . 74.42 111.236 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -45.65 -57.01 4.55 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.679 1.591 . . . . 70.05 113.361 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . -91.72 27.11 10.3 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.358 -0.837 . . . . 73.53 113.383 -176.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ARG . . . . . 0.452 ' O ' HG12 ' B' ' 123' ' ' ILE . 63.5 ttt180 -113.67 160.6 18.44 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.522 -1.288 . . . . 74.2 107.522 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' THR . . . . . . . . . . . . . 12.1 m -103.4 148.43 25.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.358 0.503 . . . . 70.32 112.358 -163.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.6 -44.64 77.18 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.007 0.923 . . . . 60.02 110.567 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' SER . . . . . . . . . . . . . 34.5 t -61.84 -37.37 84.21 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.134 -0.939 . . . . 74.23 112.066 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -58.73 -34.27 71.17 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.0 0.813 . . . . 71.24 110.948 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' B' ' 154' ' ' ARG . 91.2 m-85 -92.6 -9.63 40.37 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.17 -0.468 . . . . 72.54 110.371 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' ASN . . . . . . . . . . . . . 8.1 t30 59.87 50.3 7.02 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.828 0.851 . . . . 71.35 110.648 -175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' ILE . . . . . 0.434 HG23 ' OG ' ' B' ' 165' ' ' SER . 1.7 mp -62.2 120.45 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 108.971 -0.751 . . . . 75.43 108.971 167.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -101.67 173.1 6.57 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.376 0.608 . . . . 71.22 109.803 171.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 164' ' ' GLU . 16.6 ptmt -62.72 139.07 58.65 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.818 -0.628 . . . . 63.25 109.399 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' B' ' 163' ' ' LYS . 7.1 pt-20 64.54 15.09 9.4 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.098 1.759 . . . . 63.01 112.745 -176.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . 0.448 ' HB2' ' CE1' ' B' ' 145' ' ' PHE . 98.5 p -61.46 121.49 12.82 Favored 'General case' 0 C--N 1.368 1.387 0 CA-C-N 117.862 0.301 . . . . 74.12 110.38 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.56 126.89 35.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.343 0.657 . . . . 63.1 111.204 -176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' B' ' 145' ' ' PHE . 0.4 OUTLIER -122.45 131.14 53.72 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.896 -1.52 . . . . 72.34 106.896 175.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' C' ' 767' ' ' SER . 16.7 tt -94.1 116.61 35.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 CA-C-O 122.184 0.992 . . . . 61.55 109.852 178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' LEU . . . . . 0.438 HD11 HE21 ' B' ' 141' ' ' GLN . 44.2 tp -80.51 108.64 14.31 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 113.789 -1.551 . . . . 73.04 110.096 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.39 158.16 15.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.948 1.299 . . . . 73.1 109.209 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.28 174.46 8.17 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.492 0.717 . . . . 75.5 110.706 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.3 t -40.86 149.46 0.08 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.043 1.337 . . . . 63.34 113.251 167.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 tm? 77.68 129.72 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.496 1.518 . . . . 73.12 110.082 -175.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.731 1.212 . . . . 74.54 110.254 -173.229 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 733' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.893 -0.483 . . . . 63.04 111.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 734' ' ' SER . . . . . . . . . . . . . 49.8 m -140.99 121.79 14.39 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.154 0.982 . . . . 73.31 110.021 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 735' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -166.4 164.61 17.39 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.836 1.254 . . . . 71.55 108.451 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 736' ' ' SER . . . . . . . . . . . . . 27.9 t 61.52 24.51 14.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.832 0.853 . . . . 62.31 110.626 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 737' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -88.91 64.21 7.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.174 0.99 . . . . 61.11 109.618 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 738' ' ' SER . . . . . . . . . . . . . 66.6 m -142.75 -38.15 0.36 Allowed 'General case' 0 C--O 1.24 0.559 0 CA-C-N 114.579 -1.191 . . . . 74.55 109.7 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 739' ' ' GLY . . . . . . . . . . . . . . . 75.72 -84.8 0.88 Allowed Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.477 -0.783 . . . . 30.01 112.201 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 740' ' ' MET . . . . . . . . . . . . . 84.1 mtp -106.89 144.06 34.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.642 0.777 . . . . 72.32 110.641 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 741' ' ' ALA . . . . . . . . . . . . . . . -84.55 65.59 9.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.057 0.943 . . . . 65.43 108.722 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 742' ' ' SER . . . . . . . . . . . . . 47.2 t -166.94 -31.9 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.948 -1.478 . . . . 54.21 110.491 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 743' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -95.01 -43.14 8.28 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.092 0.557 . . . . 63.13 111.547 -176.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 744' ' ' ALA . . . . . . . . . . . . . . . -89.0 -15.12 34.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.503 0.721 . . . . 74.44 112.74 -168.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 745' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.8 -47.25 77.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.996 0.918 . . . . 54.44 112.105 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 746' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.74 -44.46 81.71 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.024 0.827 . . . . 73.11 111.497 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 747' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -69.32 -49.62 54.11 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.641 1.176 . . . . 74.21 109.865 -175.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 748' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.95 -45.59 94.12 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.27 -1.332 . . . . 50.33 111.692 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 749' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.43 -27.65 59.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.098 -0.501 . . . . 60.14 109.706 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 750' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -64.85 -40.41 95.11 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.708 0.63 . . . . 62.51 110.043 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 751' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.92 -38.48 86.29 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.442 0.697 . . . . 70.23 110.683 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 752' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.08 -35.31 80.18 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.058 0.943 . . . . 74.3 108.876 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 753' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.5 -47.15 76.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.159 0.984 . . . . 45.25 109.725 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 754' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' C' ' 780' ' ' PHE . 44.3 m-85 -57.58 -35.21 70.08 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 109.559 -0.534 . . . . 71.53 109.559 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 755' ' ' TRP . . . . . 0.481 ' HB2' ' OH ' ' C' ' 798' ' ' TYR . 25.6 t-105 -72.98 -37.18 67.13 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.83 -0.623 . . . . 75.5 111.054 178.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 756' ' ' THR . . . . . . . . . . . . . 95.0 m -59.91 -39.39 85.27 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.496 -0.557 . . . . 43.53 109.496 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 757' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -58.39 -65.63 0.62 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.841 -1.072 . . . . 74.33 110.917 171.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 758' ' ' ILE . . . . . 0.534 HD11 HD21 ' C' ' 777' ' ' LEU . 59.7 mt -60.18 -30.51 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 123.83 0.852 . . . . 70.55 111.915 -172.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 759' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -77.19 -48.32 17.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.731 0.412 . . . . 73.22 110.305 -174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 760' ' ' ALA . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' LEU . . . -75.41 -17.73 60.11 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.886 0.474 . . . . 74.23 111.318 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 761' ' ' MET . . . . . 0.402 ' HE2' ' HZ2' ' A' ' 10' ' ' TRP . 20.4 ttt -74.12 -58.76 3.08 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.858 1.263 . . . . 75.34 109.93 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 762' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.76 -12.59 60.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.139 0.976 . . . . 61.31 112.323 -174.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 763' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 -24.91 63.86 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.888 0.375 . . . . 54.4 110.93 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 764' ' ' ASN . . . . . 0.528 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.2 t30 -119.16 -53.5 2.25 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.643 1.177 . . . . 73.21 110.1 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 765' ' ' LEU . . . . . . . . . . . . . 6.3 tp -82.49 58.13 4.01 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.753 1.221 . . . . 75.02 108.659 -172.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 766' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.87 76.06 6.56 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.46 -1.245 . . . . 53.44 112.638 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 767' ' ' SER . . . . . 0.504 ' HB2' HD13 ' B' ' 168' ' ' ILE . 22.6 m 155.23 123.4 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 127.414 2.285 . . . . 72.23 109.772 162.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 768' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.85 155.85 30.41 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.715 0.806 . . . . 73.32 111.723 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 769' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' C' ' 772' ' ' ARG . 45.9 t -59.52 148.85 31.67 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.138 0.575 . . . . 25.12 110.395 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 770' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.74 -34.57 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 108.375 -0.972 . . . . 74.24 108.375 171.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 771' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.75 -47.45 82.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.427 0.691 . . . . 73.34 111.306 172.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 772' ' ' ARG . . . . . 0.506 ' HG3' ' HB3' ' C' ' 769' ' ' SER . 75.9 mtt85 -59.75 -54.69 43.39 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.278 0.631 . . . . 73.02 111.248 -178.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 773' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 769' ' ' SER . 0.0 OUTLIER -63.61 -35.95 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.104 0.561 . . . . 74.11 110.715 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 774' ' ' TYR . . . . . 0.614 ' HD2' ' HG ' ' C' ' 795' ' ' LEU . 52.2 t80 -59.25 -48.36 81.91 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.297 0.639 . . . . 72.45 110.532 173.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 775' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -38.61 89.61 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.9 0.88 . . . . 75.31 110.657 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 776' ' ' MET . . . . . . . . . . . . . 84.6 mmm -60.88 -54.18 48.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.271 -0.877 . . . . 62.12 110.626 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 777' ' ' LEU . . . . . 0.534 HD21 HD11 ' C' ' 758' ' ' ILE . 9.2 mp -60.15 -29.86 68.93 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.756 0.822 . . . . 52.42 112.224 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 778' ' ' ARG . . . . . 0.46 ' HD2' HG22 ' C' ' 790' ' ' ILE . 9.2 mmm180 -66.57 -46.51 75.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.588 -0.523 . . . . 73.31 109.588 175.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 779' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -50.08 65.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.512 0.725 . . . . 72.44 109.9 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 780' ' ' PHE . . . . . 0.514 ' HB2' ' HE1' ' C' ' 754' ' ' PHE . 15.9 m-85 -66.0 -34.46 78.15 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.762 -0.653 . . . . 72.23 111.721 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 781' ' ' VAL . . . . . 0.606 HG11 ' H ' ' C' ' 790' ' ' ILE . 5.3 p -75.9 -37.11 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 111.724 0.268 . . . . 44.25 111.724 -178.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 782' ' ' VAL . . . . . . . . . . . . . 21.9 m -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.021 0.378 . . . . 53.32 112.021 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 783' ' ' THR . . . . . . . . . . . . . 9.0 p -65.94 -19.4 65.85 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 111.954 0.353 . . . . 62.0 111.954 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 784' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.72 15.61 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 110.888 -0.885 . . . . 55.54 110.888 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 785' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.44 -41.31 50.17 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 121.855 1.704 . . . . 73.41 111.299 167.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 786' ' ' ALA . . . . . . . . . . . . . . . 34.81 -92.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 126.713 2.005 . . . . 42.15 115.37 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 787' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.95 17.24 4.18 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.648 1.179 . . . . 71.21 109.593 -175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 788' ' ' ALA . . . . . . . . . . . . . . . 70.95 -65.7 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 126.227 1.811 . . . . 72.52 110.414 -169.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 789' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -152.01 111.37 3.92 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.369 -1.345 . . . . 75.31 107.369 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 790' ' ' ILE . . . . . 0.606 ' H ' HG11 ' C' ' 781' ' ' VAL . 12.8 tt -72.21 131.86 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.631 0.772 . . . . 75.2 109.133 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 791' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -116.33 164.09 15.04 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.783 -0.644 . . . . 64.04 110.725 -169.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 792' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.2 -31.52 70.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.067 0.947 . . . . 74.14 112.326 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 793' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -54.16 -57.74 9.98 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 122.116 0.96 . . . . 55.13 109.724 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 794' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -72.3 -33.46 67.41 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 113.088 -1.869 . . . . 73.13 110.514 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 795' ' ' LEU . . . . . 0.614 ' HG ' ' HD2' ' C' ' 774' ' ' TYR . 0.1 OUTLIER -67.65 -59.43 3.34 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.782 0.833 . . . . 62.31 109.894 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 796' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -66.13 -26.88 67.65 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.846 -0.616 . . . . 72.14 110.302 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 797' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.24 81.16 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 123.933 0.771 . . . . 32.22 112.36 172.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 798' ' ' TYR . . . . . 0.481 ' OH ' ' HB2' ' C' ' 755' ' ' TRP . 4.4 t80 -66.14 -51.92 53.36 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.524 0.73 . . . . 71.21 109.385 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 799' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.65 -36.41 84.16 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.445 -0.798 . . . . 75.44 111.175 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 800' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.02 -50.48 72.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.404 0.682 . . . . 74.1 109.95 175.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 801' ' ' LYS . . . . . 0.453 ' HE2' ' HB2' ' C' ' 805' ' ' ASP . 17.1 tptm -57.63 -54.83 42.42 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.382 1.051 . . . . 75.23 110.426 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 802' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' C' ' 808' ' ' LEU . 72.7 mmtt -58.74 -35.68 73.11 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 113.025 0.75 . . . . 73.33 113.025 -177.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 803' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.52 -43.93 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.128 0.571 . . . . 64.54 110.287 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 804' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -77.13 -8.6 57.78 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.141 0.576 . . . . 74.2 111.814 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 805' ' ' ASP . . . . . 0.453 ' HB2' ' HE2' ' C' ' 801' ' ' LYS . 34.3 t70 -99.11 -8.96 24.45 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.514 1.125 . . . . 62.4 111.377 173.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 806' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 64.62 19.83 11.95 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 125.076 1.35 . . . . 63.35 111.889 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 807' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -87.47 -17.83 31.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.466 1.106 . . . . 64.13 110.556 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 808' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' C' ' 815' ' ' TYR . 1.0 OUTLIER -120.94 146.23 46.87 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.106 0.962 . . . . 73.11 109.853 174.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 809' ' ' VAL . . . . . . . . . . . . . 10.6 t -105.83 134.3 47.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 C-N-CA 125.236 1.415 . . . . 64.21 108.825 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 810' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.44 106.69 18.28 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.713 -1.217 . . . . 75.13 107.713 171.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 811' ' ' SER . . . . . 0.594 ' HB2' HG23 ' C' ' 814' ' ' VAL . 74.0 m -85.94 -145.54 0.11 Allowed 'General case' 0 C--O 1.244 0.767 0 N-CA-C 109.046 -0.724 . . . . 73.22 109.046 175.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 812' ' ' ALA . . . . . . . . . . . . . . . -71.31 75.46 0.73 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 118.596 0.635 . . . . 70.01 110.876 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 813' ' ' GLY . . . . . . . . . . . . . . . 71.92 19.67 78.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 116.481 -0.327 . . . . 54.32 113.557 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 814' ' ' VAL . . . . . 0.594 HG23 ' HB2' ' C' ' 811' ' ' SER . 18.2 m -134.49 154.8 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.878 0.871 . . . . 70.13 110.551 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 815' ' ' TYR . . . . . 0.423 ' HB3' HD12 ' C' ' 808' ' ' LEU . 24.4 m-85 -104.32 146.87 28.19 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.544 0.738 . . . . 72.42 110.429 178.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 816' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -159.53 157.56 30.18 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.327 1.017 . . . . 72.31 111.138 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 817' ' ' LEU . . . . . . . . . . . . . 1.3 mp -81.66 125.75 77.47 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 122.481 0.312 . . . . 64.53 111.552 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 818' ' ' PRO . . . . . 0.499 ' HB2' ' HA ' ' C' ' 821' ' ' CYS . 34.2 Cg_endo -66.89 -42.07 9.18 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.714 2.276 . . . . 75.21 112.294 172.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 819' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' C' ' 819' ' ' LYS . 46.6 mtpt 66.17 -71.01 0.09 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 125.684 1.594 . . . . 61.22 112.276 -178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 820' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -68.54 -38.48 80.85 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.93 0.492 . . . . 74.44 110.056 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 821' ' ' CYS . . . . . 0.499 ' HA ' ' HB2' ' C' ' 818' ' ' PRO . 28.6 m 66.24 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 C-N-CA 125.847 1.659 . . . . 75.43 112.177 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 822' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 CA--C 1.558 1.272 0 C-N-CA 124.332 1.053 . . . . 62.03 111.851 -171.777 . . . . . . . . 0 0 . 1 stop_ save_